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

Systemtic Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N-[3-(1-oxopropylamino)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(3-propionamidophenyl)acrylamide Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2/c1-4-19(26)23-16-6-5-7-17(10-16)24-20(27)15(11-21)8-14-9-18(12-22)25(3)13(14)2/h5-10H,4H2,1-3H3,(H,23,26)(H,24,27)/b15-8+