Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1CCCC1CN)C(N)Cc3ccc(c2ccccc2)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | NC[C@@H]1CCCN1C(=O)[C@@H](N)Cc2ccc(cc2)c3ccccc3 |
SMILES | CACTVS | 3.341 | NC[CH]1CCCN1C(=O)[CH](N)Cc2ccc(cc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)N3CCC[C@H]3CN)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2ccc(cc2)CC(C(=O)N3CCCC3CN)N |
InChI | InChI | 1.03 | InChI=1S/C20H25N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-14,21-22H2/t18-,19-/m0/s1 |
InChIKey | InChI | 1.03 | MUUVLSCVDXKQQV-OALUTQOASA-N |