N3F
{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
Created: | 2011-03-10 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 0 |
Bond Count | 40 |
Aromatic Bond Count | 18 |
Chemical Component Summary | |
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Name | {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone |
Systematic Name (OpenEye OEToolkits) | [4-[(2-aminophenyl)amino]phenyl]-phenyl-methanone |
Formula | C19 H16 N2 O |
Molecular Weight | 288.343 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)c2ccc(cc2)Nc3ccccc3N |
SMILES | CACTVS | 3.370 | Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N |
Canonical SMILES | CACTVS | 3.370 | Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N |
InChI | InChI | 1.03 | InChI=1S/C19H16N2O/c20-17-8-4-5-9-18(17)21-16-12-10-15(11-13-16)19(22)14-6-2-1-3-7-14/h1-13,21H,20H2 |
InChIKey | InChI | 1.03 | RAWYMBACZSQNDD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 11737779 |
ChEMBL | CHEMBL152596 |