3-(4-chlorophenyl)-N-[2-oxidanylidene-2-(propylamino)ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[2-oxidanylidene-2-(propylamino)ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-[2-keto-2-(propylamino)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CNC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O2/c1-2-12-23-19(27)13-24-21(28)18-14-26(17-6-4-3-5-7-17)25-20(18)15-8-10-16(22)11-9-15/h3-11,14H,2,12-13H2,1H3,(H,23,27)(H,24,28)