Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCC)C3N(C(=O)C(N)C(c1ccccc1)c2ccccc2)CCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c2ccccc2)c3ccccc3 |
SMILES | CACTVS | 3.341 | CCCNC(=O)[CH]1CCCN1C(=O)[CH](N)C(c2ccccc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCNC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3ccccc3)N |
InChI | InChI | 1.03 | InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1 |
InChIKey | InChI | 1.03 | HZKKJPDVZGOOPU-PZJWPPBQSA-N |