(E)-N-(4-acetamido-3-chloranyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-acetamido-3-chloranyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-(4-acetamido-3-chloro-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(4-acetamido-3-chlorophenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(4-acetamido-3-chlorophenyl)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(4-acetamido-3-chloro-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylamide Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC(=C(C=C2)NC(=O)C)Cl)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)NC(=O)C)Cl)C

InChI

InChI=1S/C21H23ClN4O2/c1-5-8-26-13(2)9-16(14(26)3)10-17(12-23)21(28)25-18-6-7-20(19(22)11-18)24-15(4)27/h6-7,9-11H,5,8H2,1-4H3,(H,24,27)(H,25,28)/b17-10+