(E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acrylonitrile Formula: C19H20N2O MolecularWeight: 292.3749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\C#N)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O/c1-13(2)21-14(3)10-17(15(21)4)11-18(12-20)19(22)16-8-6-5-7-9-16/h5-11,13H,1-4H3/b18-11+