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

Systemtic Name: 6-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperidino)-4-keto-butyl]-6-p-phenetyl-pyridazin-3-one Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3/c1-2-34-25-12-10-24(11-13-25)26-14-15-28(33)31(29-26)18-6-9-27(32)30-19-16-23(17-20-30)21-22-7-4-3-5-8-22/h3-5,7-8,10-15,23H,2,6,9,16-21H2,1H3