4-[4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazino)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O3/c1-34-26-13-10-21(18-27(26)35-2)25-19-24(20-8-11-23(33)12-9-20)29-28(30-25)32-16-14-31(15-17-32)22-6-4-3-5-7-22/h3-13,18-19H,14-17H2,1-2H3,(H,29,30)