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

Systemtic Name: 4-[6-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(4-phenylpiperazin-1-yl)-6-(p-tolyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[6-(4-methylphenyl)-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[6-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(4-phenylpiperazino)-6-(p-tolyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C27H26N4O MolecularWeight: 422.52154

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O/c1-20-7-9-21(10-8-20)25-19-26(22-11-13-24(32)14-12-22)29-27(28-25)31-17-15-30(16-18-31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H,28,29)