(E)-N-[2-(4-bromophenyl)carbonyl-1-benzofuran-3-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(4-bromophenyl)carbonyl-1-benzofuran-3-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-(4-bromobenzoyl)benzofuran-3-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-[(4-bromophenyl)-oxomethyl]-3-benzofuranyl]-3-(1,3-diphenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-(4-bromobenzoyl)benzofuran-3-yl]-3-(1,3-diphenylpyrazol-4-yl)acrylamide Formula: C33H22BrN3O3 MolecularWeight: 588.45008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NC3=C(OC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC3=C(OC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C33H22BrN3O3/c34-25-18-15-23(16-19-25)32(39)33-31(27-13-7-8-14-28(27)40-33)35-29(38)20-17-24-21-37(26-11-5-2-6-12-26)36-30(24)22-9-3-1-4-10-22/h1-21H,(H,35,38)/b20-17+