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

Systemtic Name: 6-[4-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-[(5S)-5-(4-bromophenyl)-3-phenyl-2-pyrazolin-1-yl]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C26H21BrN4O MolecularWeight: 485.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C2C=CC=CC2=O)N1)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC(=NC(=C2C=CC=CC2=O)N1)N3[C@@H](CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H21BrN4O/c1-17-15-25(29-26(28-17)21-9-5-6-10-24(21)32)31-23(19-11-13-20(27)14-12-19)16-22(30-31)18-7-3-2-4-8-18/h2-15,23,28H,16H2,1H3/t23-/m0/s1