Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc(c1Cl)c2c4c(on2)C=C(c3ccc(cc3)CN(C)C)N(C)C4=O |
InChI | InChI | 1.03 | InChI=1S/C22H20ClN3O2/c1-25(2)13-14-8-10-15(11-9-14)18-12-19-20(22(27)26(18)3)21(24-28-19)16-6-4-5-7-17(16)23/h4-12H,13H2,1-3H3 |
InChIKey | InChI | 1.03 | WXMDAZVVTXLFMQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccc(cc1)C2=Cc3onc(c4ccccc4Cl)c3C(=O)N2C |
SMILES | CACTVS | 3.385 | CN(C)Cc1ccc(cc1)C2=Cc3onc(c4ccccc4Cl)c3C(=O)N2C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C |