Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1(CCC2(CC1)C(C)N(CC2)C(=O)OCC(C)(C)C)C(c3cc(c4c(c3)cnn4)C)=O |
InChI | InChI | 1.03 | InChI=1S/C24H34N4O3/c1-16-12-18(13-19-14-25-26-20(16)19)21(29)27-9-6-24(7-10-27)8-11-28(17(24)2)22(30)31-15-23(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,25,26)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | ZOGULHIZBGRKQX-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N(CCC12CCN(CC2)C(=O)c3cc(C)c4[nH]ncc4c3)C(=O)OCC(C)(C)C |
SMILES | CACTVS | 3.385 | C[CH]1N(CCC12CCN(CC2)C(=O)c3cc(C)c4[nH]ncc4c3)C(=O)OCC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN(C4C)C(=O)OCC(C)(C)C |