3-(4-bromophenyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[1-[4-(1-oxopropylamino)phenyl]ethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[1-(4-propionamidophenyl)ethyl]-1H-pyrazole-5-carboxamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O2/c1-3-20(27)24-17-10-6-14(7-11-17)13(2)23-21(28)19-12-18(25-26-19)15-4-8-16(22)9-5-15/h4-13H,3H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)