4-bromanyl-N-[(E)-1-(1,3-diphenylpyrazol-4-yl)-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[(E)-1-(1,3-diphenylpyrazol-4-yl)-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: 4-bromo-N-[(E)-2-(1,3-diphenylpyrazol-4-yl)-1-(p-tolylcarbamoyl)vinyl]benzamide CAS Name: 4-bromo-N-[(E)-1-(1,3-diphenyl-4-pyrazolyl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: 4-bromo-N-[(E)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: 4-bromo-N-[(E)-2-(1,3-diphenylpyrazol-4-yl)-1-(p-tolylcarbamoyl)vinyl]benzamide Formula: C32H25BrN4O2 MolecularWeight: 577.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/NC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C32H25BrN4O2/c1-22-12-18-27(19-13-22)34-32(39)29(35-31(38)24-14-16-26(33)17-15-24)20-25-21-37(28-10-6-3-7-11-28)36-30(25)23-8-4-2-5-9-23/h2-21H,1H3,(H,34,39)(H,35,38)/b29-20+