(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[3-(2-methylpropanoylamino)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[3-(2-methylpropanoylamino)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[3-(2-methylpropanoylamino)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-[3-(2-methylpropanoylamino)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[3-(isobutyrylamino)phenyl]acrylamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)NC(=O)C(C)C

InChI

InChI=1S/C21H21N5O2/c1-13(2)20(27)24-17-6-5-7-18(10-17)25-21(28)16(11-22)8-15-9-19(12-23)26(4)14(15)3/h5-10,13H,1-4H3,(H,24,27)(H,25,28)/b16-8+