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

Systemtic Name: 4-[4-phenyl-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-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-phenyl-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(4-benzylpiperazino)-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=C4C=CC(=O)C=C4)N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=C4C=CC(=O)C=C4)N3)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c32-24-13-11-23(12-14-24)26-19-25(22-9-5-2-6-10-22)28-27(29-26)31-17-15-30(16-18-31)20-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2,(H,28,29)