Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClCCN(CCCl)CCCC(/N=C2\c1c(ccc(OC)c1)Nc3c2ccc(Cl)c3)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2Nc3cc(Cl)ccc3C(=N[C@@H](C)CCCN(CCCl)CCCl)c2c1 |
SMILES | CACTVS | 3.341 | COc1ccc2Nc3cc(Cl)ccc3C(=N[CH](C)CCCN(CCCl)CCCl)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CCCN(CCCl)CCCl)/N=C\1/c2ccc(cc2Nc3c1cc(cc3)OC)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCCN(CCCl)CCCl)N=C1c2ccc(cc2Nc3c1cc(cc3)OC)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H28Cl3N3O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | UKOBAUFLOGFCMV-INIZCTEOSA-N |