Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Clc1ccccc1CN(C(=O)C4=C(c2ccc(cc2)CCCOc3cc(F)ccc3Br)CCNC4)C5CC5 |
SMILES_CANONICAL | CACTVS | 3.352 | Fc1ccc(Br)c(OCCCc2ccc(cc2)C3=C(CNCC3)C(=O)N(Cc4ccccc4Cl)C5CC5)c1 |
SMILES | CACTVS | 3.352 | Fc1ccc(Br)c(OCCCc2ccc(cc2)C3=C(CNCC3)C(=O)N(Cc4ccccc4Cl)C5CC5)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl |
InChI | InChI | 1.03 | InChI=1S/C31H31BrClFN2O2/c32-28-14-11-24(34)18-30(28)38-17-3-4-21-7-9-22(10-8-21)26-15-16-35-19-27(26)31(37)36(25-12-13-25)20-23-5-1-2-6-29(23)33/h1-2,5-11,14,18,25,35H,3-4,12-13,15-17,19-20H2 |
InChIKey | InChI | 1.03 | GNQKDXQPKKYVIX-UHFFFAOYSA-N |