20P
Summary
| Name: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide |
| Formula: | C15 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 238.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide |
| OpenEye OEToolkits | 1.7.6 | (1S,2S)-2-phenyl-N-pyridin-4-yl-cyclopropane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccncc1)C3CC3c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O/c18-15(17-12-6-8-16-9-7-12)14-10-13(14)11-4-2-1-3-5-11/h1-9,13-14H,10H2,(H,16,17,18)/t13-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | NOMFGVQIYPJHNJ-KGLIPLIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccncc1)[C@H]2C[C@@H]2c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccncc1)[CH]2C[CH]2c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2CC2C(=O)Nc3ccncc3 |
