(6E)-4-bromanyl-6-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-bromanyl-6-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-bromo-6-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-bromo-6-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-bromo-6-[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-bromo-6-[[(1-phenyl-2-pyrazolin-3-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C16H14BrN3O MolecularWeight: 344.20586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1NC=C2C=C(C=CC2=O)Br)C3=CC=CC=C3

Isomeric SMILES

C1CN(N=C1N/C=C/2\C=C(C=CC2=O)Br)C3=CC=CC=C3

InChI

InChI=1S/C16H14BrN3O/c17-13-6-7-15(21)12(10-13)11-18-16-8-9-20(19-16)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,18,19)/b12-11+