Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c31nc(N)cc(C)c1ccc(CCc2cc(ccc2)CNC)c3 |
InChI | InChI | 1.03 | InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23) |
InChIKey | InChI | 1.03 | VJMAXFIJCSRVHO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1 |
SMILES | CACTVS | 3.385 | CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N |