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

Systemtic Name: 4-[4-(4-methoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(4-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(4-benzylpiperazino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)NC(=N2)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)NC(=N2)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-34-25-13-9-23(10-14-25)27-19-26(22-7-11-24(33)12-8-22)29-28(30-27)32-17-15-31(16-18-32)20-21-5-3-2-4-6-21/h2-14,19H,15-18,20H2,1H3,(H,29,30)