2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-[6-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]pyridin-3-yl]-1,2,4-triazol-3-one

Systemtic Name: 2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-[6-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]pyridin-3-yl]-1,2,4-triazol-3-one Openeye Name: 2-[1-(4-chlorobenzoyl)propyl]-4-[6-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-3-pyridyl]-1,2,4-triazol-3-one CAS Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-[6-[4-(6-methoxy-3-pyridazinyl)-1-piperazinyl]-3-pyridinyl]-1,2,4-triazol-3-one IUPAC Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-[6-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]pyridin-3-yl]-1,2,4-triazol-3-one Traditional Name: 2-[1-(4-chlorobenzoyl)propyl]-4-[6-[4-(6-methoxypyridazin-3-yl)piperazino]-3-pyridyl]-1,2,4-triazol-3-one Formula: C26H27ClN8O3 MolecularWeight: 534.99738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)N(C=N2)C3=CN=C(C=C3)N4CCN(CC4)C5=NN=C(C=C5)OC

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)N(C=N2)C3=CN=C(C=C3)N4CCN(CC4)C5=NN=C(C=C5)OC

InChI

InChI=1S/C26H27ClN8O3/c1-3-21(25(36)18-4-6-19(27)7-5-18)35-26(37)34(17-29-35)20-8-9-22(28-16-20)32-12-14-33(15-13-32)23-10-11-24(38-2)31-30-23/h4-11,16-17,21H,3,12-15H2,1-2H3