Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C=Cc1cc(cnc1N2)\C=C\C(=O)N5CC(c4oc3ccccc3c4C)C5 |
InChI | InChI | 1.03 | InChI=1S/C23H19N3O3/c1-14-18-4-2-3-5-19(18)29-22(14)17-12-26(13-17)21(28)9-6-15-10-16-7-8-20(27)25-23(16)24-11-15/h2-11,17H,12-13H2,1H3,(H,24,25,27)/b9-6+ |
InChIKey | InChI | 1.03 | WOXLILFJNITQHB-RMKNXTFCSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1c(oc2ccccc12)[C@H]3CN(C3)C(=O)\C=C\c4cnc5NC(=O)C=Cc5c4 |
SMILES | CACTVS | 3.370 | Cc1c(oc2ccccc12)[CH]3CN(C3)C(=O)C=Cc4cnc5NC(=O)C=Cc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c2ccccc2oc1C3CN(C3)C(=O)/C=C/c4cc5c(nc4)NC(=O)C=C5 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c2ccccc2oc1C3CN(C3)C(=O)C=Cc4cc5c(nc4)NC(=O)C=C5 |