Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NO)C(N4C(=O)C(c3ccc(OCc1c2ccccc2nc(c1)C)cc3)(C)CC4)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](N1CC[C@](C)(C1=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NO |
SMILES | CACTVS | 3.341 | C[CH](N1CC[C](C)(C1=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2ccccc2n1)COc3ccc(cc3)C4(CCN(C4=O)C(C)C(=O)NO)C |
InChI | InChI | 1.03 | InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1 |
InChIKey | InChI | 1.03 | YDMIPBHQKFOFQW-NSYGIPOTSA-N |