Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(c2ccc(cc2OC1)CCCCC3CCN(C)CC3)Cc4noc(c4)C |
InChI | InChI | 1.03 | InChI=1S/C23H31N3O3/c1-17-13-20(24-29-17)15-26-21-8-7-19(14-22(21)28-16-23(26)27)6-4-3-5-18-9-11-25(2)12-10-18/h7-8,13-14,18H,3-6,9-12,15-16H2,1-2H3 |
InChIKey | InChI | 1.03 | GCGQNNSUCNJBSC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CCCCc2ccc3N(Cc4cc(C)on4)C(=O)COc3c2)CC1 |
SMILES | CACTVS | 3.385 | CN1CCC(CCCCc2ccc3N(Cc4cc(C)on4)C(=O)COc3c2)CC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C |