3-(1,3-benzodioxol-5-yl)-2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(5-methyl-2-phenyl-3-pyrazolyl)-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)acrylamide Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3/c1-14-9-20(25(24-14)17-5-3-2-4-6-17)23-21(26)16(12-22)10-15-7-8-18-19(11-15)28-13-27-18/h2-11H,13H2,1H3,(H,23,26)