(E)-N-(5-chloranyl-2-methyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-2-methyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-(5-chloro-2-methyl-phenyl)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(5-chloro-2-methyl-phenyl)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C20H22ClN3O MolecularWeight: 355.86118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=C(N(C(=C2)C)C(C)C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)/C(=C/C2=C(N(C(=C2)C)C(C)C)C)/C#N

InChI

InChI=1S/C20H22ClN3O/c1-12(2)24-14(4)8-16(15(24)5)9-17(11-22)20(25)23-19-10-18(21)7-6-13(19)3/h6-10,12H,1-5H3,(H,23,25)/b17-9+