4-[6-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[6-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)-6-(p-tolyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[6-(4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)-6-(4-methylphenyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(4-benzylpiperazino)-6-(p-tolyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)N=C(N2)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)N=C(N2)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c1-21-7-9-23(10-8-21)26-19-27(24-11-13-25(33)14-12-24)30-28(29-26)32-17-15-31(16-18-32)20-22-5-3-2-4-6-22/h2-14,19H,15-18,20H2,1H3,(H,29,30)