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

Systemtic Name: 4-bromanyl-6-[[(2,5-diphenylpyrazol-3-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[(2,5-diphenylpyrazol-3-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[(2,5-diphenyl-3-pyrazolyl)amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[(2,5-diphenylpyrazol-3-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[(2,5-diphenylpyrazol-3-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H16BrN3O MolecularWeight: 418.28594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC=C3C=C(C=CC3=O)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC=C3C=C(C=CC3=O)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H16BrN3O/c23-18-11-12-21(27)17(13-18)15-24-22-14-20(16-7-3-1-4-8-16)25-26(22)19-9-5-2-6-10-19/h1-15,24H