phenyl 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate

Systemtic Name: phenyl 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: phenyl 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid phenyl ester Formula: C19H14BrN3O2 MolecularWeight: 396.23736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

InChI

InChI=1S/C19H14BrN3O2/c20-15-7-4-6-14(12-15)18-17(13-23(22-18)11-5-10-21)19(24)25-16-8-2-1-3-9-16/h1-4,6-9,12-13H,5,11H2