[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O3/c22-17-10-8-16(9-11-17)18-13-19(25-24-18)21(27)28-14-20(26)23-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12,14H2,(H,23,26)(H,24,25)