Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(=C/c1c(n(nc1C)c2ccccc2)C)\N3CCN(CC3)Cc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+ |
InChIKey | InChI | 1.03 | FOORCIAZMIWALX-JJIBRWJFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn(c2ccccc2)c(C)c1\C=N\N3CCN(CC3)Cc4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1nn(c2ccccc2)c(C)c1C=NN3CCN(CC3)Cc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n(n1)c2ccccc2)C)C=NN3CCN(CC3)Cc4ccccc4 |