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

Systemtic Name: 6-(4-methylphenyl)-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-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperidino)-4-keto-butyl]-6-(p-tolyl)pyridazin-3-one Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-21-9-11-24(12-10-21)25-13-14-27(32)30(28-25)17-5-8-26(31)29-18-15-23(16-19-29)20-22-6-3-2-4-7-22/h2-4,6-7,9-14,23H,5,8,15-20H2,1H3