Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H24ClN3/c22-18-5-3-4-16(12-18)13-23-19-8-10-25(11-9-19)15-17-14-24-21-7-2-1-6-20(17)21/h1-7,12,14,19,23-24H,8-11,13,15H2 |
InChIKey | InChI | 1.03 | ZBFRXMWMJAMISF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CNC2CCN(CC2)Cc3c[nH]c4ccccc34)c1 |
SMILES | CACTVS | 3.385 | Clc1cccc(CNC2CCN(CC2)Cc3c[nH]c4ccccc34)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl |