Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cc1c(cnc1nc2)CN3CCN(CC3)c4ccc(Cl)cc4 |
InChI | InChI | 1.03 | InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21) |
InChIKey | InChI | 1.03 | OGJGQVFWEPNYSB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)N2CCN(CC2)Cc3c[nH]c4ncccc34 |
SMILES | CACTVS | 3.385 | Clc1ccc(cc1)N2CCN(CC2)Cc3c[nH]c4ncccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl |