Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N3C(C(=O)NCc2ccc(c1ccccc1)cc2)CC(O)C3)Cc4onc(c4)C |
InChI | InChI | 1.03 | InChI=1S/C24H25N3O4/c1-16-11-21(31-26-16)13-23(29)27-15-20(28)12-22(27)24(30)25-14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-11,20,22,28H,12-15H2,1H3,(H,25,30)/t20-,22+/m1/s1 |
InChIKey | InChI | 1.03 | NRELVQVYPBFBDC-IRLDBZIGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)on1 |
SMILES | CACTVS | 3.385 | Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4ccccc4)on1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)c4ccccc4)O |