6-[4-(4-bromophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-bromophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-bromophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-bromophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-bromophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-bromophenyl)-2-(3,5-diphenyl-2-pyrazolin-1-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Formula: C31H23BrN4O MolecularWeight: 547.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C3=NC(=CC(=C4C=CC=CC4=O)N3)C5=CC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C3=NC(=CC(=C4C=CC=CC4=O)N3)C5=CC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C31H23BrN4O/c32-24-17-15-22(16-18-24)26-19-28(25-13-7-8-14-30(25)37)34-31(33-26)36-29(23-11-5-2-6-12-23)20-27(35-36)21-9-3-1-4-10-21/h1-19,29H,20H2,(H,33,34)