Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCNCC3)C |
InChI | InChI | 1.03 | InChI=1S/C21H23N3O/c1-15-3-2-4-18-19(15)13-20(23-21(18)25)17-7-5-16(6-8-17)14-24-11-9-22-10-12-24/h2-8,13,22H,9-12,14H2,1H3,(H,23,25) |
InChIKey | InChI | 1.03 | ZZCWXOKQTXSKMI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2C(=O)NC(=Cc12)c3ccc(CN4CCNCC4)cc3 |
SMILES | CACTVS | 3.385 | Cc1cccc2C(=O)NC(=Cc12)c3ccc(CN4CCNCC4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4 |