2-(4-methoxyphenyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-methoxyphenyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(4-methoxyphenyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(4-methoxyphenyl)-6-[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(4-methoxyphenyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(4-methoxyphenyl)-6-[4-(2-phenylbutanoyl)piperazino]pyridazin-3-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N4O3/c1-3-22(19-7-5-4-6-8-19)25(31)28-17-15-27(16-18-28)23-13-14-24(30)29(26-23)20-9-11-21(32-2)12-10-20/h4-14,22H,3,15-18H2,1-2H3