3-(1-benzofuran-2-yl)-N-(2-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(1-benzofuran-2-yl)-N-(2-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Openeye Name: 3-(benzofuran-2-yl)-N-(2-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide CAS Name: 3-(2-benzofuranyl)-N-(2-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxamide IUPAC Name: 3-(1-benzofuran-2-yl)-N-(2-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Traditional Name: 3-(benzofuran-2-yl)-N-(2-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Formula: C21H15BrN4O2 MolecularWeight: 435.2734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)NC4=CC=CC=C4Br)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)NC4=CC=CC=C4Br)CCC#N

InChI

InChI=1S/C21H15BrN4O2/c22-16-7-2-3-8-17(16)24-21(27)15-13-26(11-5-10-23)25-20(15)19-12-14-6-1-4-9-18(14)28-19/h1-4,6-9,12-13H,5,11H2,(H,24,27)