6-(3,4-dimethoxyphenyl)-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]pyridazin-3-one

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]pyridazin-3-one Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperazino)-4-keto-butyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H32N4O4/c1-34-24-12-10-22(19-25(24)35-2)23-11-13-27(33)31(28-23)14-6-9-26(32)30-17-15-29(16-18-30)20-21-7-4-3-5-8-21/h3-5,7-8,10-13,19H,6,9,14-18,20H2,1-2H3