(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(2S)-2-phenylpropyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(2S)-2-phenylpropyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(2S)-2-phenylpropyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-N-[(2S)-2-phenylpropyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(2S)-2-phenylpropyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[(2S)-2-phenylpropyl]acrylamide Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)NCC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)NC[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O/c1-15(18-7-5-4-6-8-18)14-24-22(26)20(13-23)12-19-11-16(2)25(17(19)3)21-9-10-21/h4-8,11-12,15,21H,9-10,14H2,1-3H3,(H,24,26)/b20-12+/t15-/m1/s1