Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H21ClN4/c23-17-5-3-4-16(14-17)15-27-11-8-19-21(27)18-6-1-2-7-20(18)25-22(19)26-12-9-24-10-13-26/h1-8,11,14,24H,9-10,12-13,15H2 |
InChIKey | InChI | 1.06 | MFUVKDHSDIAPMH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)c1 |
SMILES | CACTVS | 3.385 | Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c(ccn3Cc4cccc(c4)Cl)c(n2)N5CCNCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c(ccn3Cc4cccc(c4)Cl)c(n2)N5CCNCC5 |