Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2CC(c1ccncc1)CCC2N(C(=O)N(C\C=C(\C)C)c4cccc(Oc3ccccc3)c4)C |
InChI | InChI | 1.03 | InChI=1S/C30H35N3O2/c1-23(2)18-21-33(27-8-7-11-29(22-27)35-28-9-5-4-6-10-28)30(34)32(3)26-14-12-24(13-15-26)25-16-19-31-20-17-25/h4-11,16-20,22,24,26H,12-15,21H2,1-3H3/t24-,26- |
InChIKey | InChI | 1.03 | ZAXRBGRMBUAKGI-YOCNBXQISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN([C@H]1CC[C@@H](CC1)c2ccncc2)C(=O)N(CC=C(C)C)c3cccc(Oc4ccccc4)c3 |
SMILES | CACTVS | 3.385 | CN([CH]1CC[CH](CC1)c2ccncc2)C(=O)N(CC=C(C)C)c3cccc(Oc4ccccc4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C |