(6E)-6-[2-(4-bromophenyl)-6-pyridin-3-yl-1,3-diazinan-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[2-(4-bromophenyl)-6-pyridin-3-yl-1,3-diazinan-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-(4-bromophenyl)-6-(3-pyridyl)hexahydropyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-(4-bromophenyl)-6-(3-pyridinyl)-1,3-diazinan-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-(4-bromophenyl)-6-pyridin-3-yl-1,3-diazinan-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-(4-bromophenyl)-6-(3-pyridyl)hexahydropyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(NC1=C2C=CC=CC2=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C\1C(NC(N/C1=C/2\C=CC=CC2=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C21H18BrN3O/c22-16-9-7-14(8-10-16)21-24-18(15-4-3-11-23-13-15)12-19(25-21)17-5-1-2-6-20(17)26/h1-11,13,18,21,24-25H,12H2/b19-17+