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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]pyridazin-3-one Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-6-(4-ethoxyphenyl)pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperazino)-4-keto-butyl]-6-p-phenetyl-pyridazin-3-one Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-2-34-24-12-10-23(11-13-24)25-14-15-27(33)31(28-25)16-6-9-26(32)30-19-17-29(18-20-30)21-22-7-4-3-5-8-22/h3-5,7-8,10-15H,2,6,9,16-21H2,1H3