Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC2CC2c1ccccc1)N4CCC(Oc3ccccc3)CC4 |
InChI | InChI | 1.03 | InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1 |
InChIKey | InChI | 1.03 | SAKQSHLUPVUJDT-UXHICEINSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[C@H]1C[C@@H]1c2ccccc2)N3CC[C@@H](CC3)Oc4ccccc4 |
SMILES | CACTVS | 3.385 | O=C(N[CH]1C[CH]1c2ccccc2)N3CC[CH](CC3)Oc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2CC2NC(=O)N3CCC(CC3)Oc4ccccc4 |