Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCCC3)C |
InChI | InChI | 1.03 | InChI=1S/C21H22N2O/c1-15-5-4-6-18-19(15)13-20(22-21(18)24)17-9-7-16(8-10-17)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,24) |
InChIKey | InChI | 1.03 | INONXBKKVSBONG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2C(=O)NC(=Cc12)c3ccc(CN4CCCC4)cc3 |
SMILES | CACTVS | 3.385 | Cc1cccc2C(=O)NC(=Cc12)c3ccc(CN4CCCC4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4 |