Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)C(N)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C17H13Cl2N3O/c18-13-6-5-10(7-14(13)19)16(20)17(23)22-15-9-21-8-11-3-1-2-4-12(11)15/h1-9,16H,20H2,(H,22,23)/t16-/m1/s1 |
InChIKey | InChI | 1.06 | WYMRTHFDSBYEJI-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3 |
SMILES | CACTVS | 3.385 | N[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)N |