C56
4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE
Created: | 2011-09-22 |
Last modified: | 2014-09-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 51 |
Chiral Atom Count | 1 |
Bond Count | 52 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE |
Systematic Name (OpenEye OEToolkits) | 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-nitro-benzamide |
Formula | C17 H26 N4 O4 |
Molecular Weight | 350.413 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc(c(OC)cc1N(C)C)C(=O)NCC2N(CC)CCC2 |
SMILES | CACTVS | 3.385 | CCN1CCC[CH]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+]([O-])=O |
SMILES | OpenEye OEToolkits | 1.9.2 | CCN1CCCC1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] |
Canonical SMILES | CACTVS | 3.385 | CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+]([O-])=O |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C17H26N4O4/c1-5-20-8-6-7-12(20)11-18-17(22)13-9-15(21(23)24)14(19(2)3)10-16(13)25-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,22)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | AFNPLUMDSLEAPD-GFCCVEGCSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7390465 |