ENZ
(4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one
Created: | 2018-04-03 |
Last modified: | 2019-04-10 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 34 |
Chiral Atom Count | 2 |
Bond Count | 36 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one |
Systematic Name (OpenEye OEToolkits) | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one |
Formula | C15 H15 N3 O |
Molecular Weight | 253.299 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C[CH]1NN(C(=O)[CH]1c2ccccc2)c3ccccn3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(=O)N(N1)c2ccccn2)c3ccccc3 |
Canonical SMILES | CACTVS | 3.385 | C[C@H]1NN(C(=O)[C@@H]1c2ccccc2)c3ccccn3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C15H15N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-11,14,17H,1H3/t11-,14+/m1/s1 |
InChIKey | InChI | 1.03 | WTUXNFZMAWODGB-RISCZKNCSA-N |