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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]pyridazin-3-one Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-4-oxo-butyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperidino)-4-keto-butyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C28H33N3O4/c1-34-25-12-10-23(20-26(25)35-2)24-11-13-28(33)31(29-24)16-6-9-27(32)30-17-14-22(15-18-30)19-21-7-4-3-5-8-21/h3-5,7-8,10-13,20,22H,6,9,14-19H2,1-2H3