Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)c1cc2nc(nc2cc1)c5ccc(OCC4CCN(Cc3ccc(Cl)cc3)CC4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C27H27ClN4O2/c28-22-6-1-18(2-7-22)16-32-13-11-19(12-14-32)17-34-23-8-3-20(4-9-23)27-30-24-10-5-21(26(29)33)15-25(24)31-27/h1-10,15,19H,11-14,16-17H2,(H2,29,33)(H,30,31) |
InChIKey | InChI | 1.03 | LKKIDFQBVDANKO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc2[nH]c(nc2c1)c3ccc(OCC4CCN(CC4)Cc5ccc(Cl)cc5)cc3 |
SMILES | CACTVS | 3.385 | NC(=O)c1ccc2[nH]c(nc2c1)c3ccc(OCC4CCN(CC4)Cc5ccc(Cl)cc5)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl |