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

Systemtic Name: 6-(3-methoxyphenyl)-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-methoxyphenyl)pyridazin-3-one CAS Name: 6-(3-methoxyphenyl)-2-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(3-methoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperidino)-4-keto-butyl]-6-(3-methoxyphenyl)pyridazin-3-one Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-33-24-10-5-9-23(20-24)25-12-13-27(32)30(28-25)16-6-11-26(31)29-17-14-22(15-18-29)19-21-7-3-2-4-8-21/h2-5,7-10,12-13,20,22H,6,11,14-19H2,1H3