Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccc(cc1)C)N(CCCN)C(C3=Nc2c(ccc(Cl)c2)C(=O)N3Cc4ccccc4)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 |
InChIKey | InChI | 1.03 | QJZRFPJCWMNVAV-HHHXNRCGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4 |
SMILES | CACTVS | 3.385 | CC(C)[CH](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)C(=O)N(CCCN)C(C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C |