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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]pyridazin-3-one Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxo-butyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[4-[4-(diphenylmethyl)-1-piperazinyl]-4-oxobutyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzhydrylpiperazino)-4-keto-butyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Formula: C33H36N4O4 MolecularWeight: 552.66334

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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)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C33H36N4O4/c1-40-29-17-15-27(24-30(29)41-2)28-16-18-32(39)37(34-28)19-9-14-31(38)35-20-22-36(23-21-35)33(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,24,33H,9,14,19-23H2,1-2H3