(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-N-[(1R)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]acrylamide Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\C#N)/C(=O)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O/c1-14(2)24-15(3)11-19(17(24)5)12-20(13-22)21(25)23-16(4)18-9-7-6-8-10-18/h6-12,14,16H,1-5H3,(H,23,25)/b20-12+/t16-/m1/s1