Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cnnc1C1(CC(C)C1)c1cc(ccc1)N1Cc2c(cc(cc2C(F)(F)F)CN2CCCC(C)C2)C1=O |
InChI | InChI | 1.06 | InChI=1S/C30H34F3N5O/c1-19-6-5-9-37(15-19)16-21-10-24-25(26(11-21)30(31,32)33)17-38(27(24)39)23-8-4-7-22(12-23)29(13-20(2)14-29)28-35-34-18-36(28)3/h4,7-8,10-12,18-20H,5-6,9,13-17H2,1-3H3/t19-,20-,29+/m0/s1 |
InChIKey | InChI | 1.06 | HUOLMBXGHHSYHC-QWQFASRJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCN(C1)Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c4cccc(c4)[C@@]5(C[C@@H](C)C5)c6nncn6C |
SMILES | CACTVS | 3.385 | C[CH]1CCCN(C1)Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c4cccc(c4)[C]5(C[CH](C)C5)c6nncn6C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCN(C1)Cc2cc3c(c(c2)C(F)(F)F)CN(C3=O)c4cccc(c4)C5(CC(C5)C)c6nncn6C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN(C1)Cc2cc3c(c(c2)C(F)(F)F)CN(C3=O)c4cccc(c4)C5(CC(C5)C)c6nncn6C |