(E)-3-(1-phenylpyrazol-4-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide CAS Name: (E)-N-[3-(1-oxopropylamino)phenyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(3-propionamidophenyl)acrylamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2/c1-2-20(26)23-17-7-6-8-18(13-17)24-21(27)12-11-16-14-22-25(15-16)19-9-4-3-5-10-19/h3-15H,2H2,1H3,(H,23,26)(H,24,27)/b12-11+