XZU
Summary
| Name: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide |
| Formula: | C20 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 306.401 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide |
| OpenEye OEToolkits | 2.0.7 | 3-[(1~{R},2~{S})-2-(cyclobutylamino)cyclopropyl]-~{N}-phenyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1)c1cccc(c1)C1CC1NC1CCC1 |
| InChI | InChI | 1.06 | InChI=1S/C20H22N2O/c23-20(22-17-8-2-1-3-9-17)15-7-4-6-14(12-15)18-13-19(18)21-16-10-5-11-16/h1-4,6-9,12,16,18-19,21H,5,10-11,13H2,(H,22,23)/t18-,19+/m1/s1 |
| InChIKey | InChI | 1.06 | OGPXXRHRKMJPBF-MOPGFXCFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccccc1)c2cccc(c2)[C@H]3C[C@@H]3NC4CCC4 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccccc1)c2cccc(c2)[CH]3C[CH]3NC4CCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)c2cccc(c2)[C@H]3C[C@@H]3NC4CCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)c2cccc(c2)C3CC3NC4CCC4 |
