6-(4-methylphenyl)-2-(2-methylpropyl)-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-(2-methylpropyl)-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyridazin-3-one Openeye Name: 4-[(4-benzylpiperazin-1-yl)methyl]-2-isobutyl-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-(2-methylpropyl)-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyridazinone IUPAC Name: 4-[(4-benzylpiperazin-1-yl)methyl]-6-(4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one Traditional Name: 4-[(4-benzylpiperazino)methyl]-2-isobutyl-6-(p-tolyl)pyridazin-3-one Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)CC4=CC=CC=C4)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)CC4=CC=CC=C4)CC(C)C

InChI

InChI=1S/C27H34N4O/c1-21(2)18-31-27(32)25(17-26(28-31)24-11-9-22(3)10-12-24)20-30-15-13-29(14-16-30)19-23-7-5-4-6-8-23/h4-12,17,21H,13-16,18-20H2,1-3H3