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

Systemtic Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-m-toluoyl-acrylonitrile Formula: C20H22N2O MolecularWeight: 306.40148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=C(N(C(=C2)C)C(C)C)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=C(N(C(=C2)C)C(C)C)C)/C#N

InChI

InChI=1S/C20H22N2O/c1-13(2)22-15(4)10-18(16(22)5)11-19(12-21)20(23)17-8-6-7-14(3)9-17/h6-11,13H,1-5H3/b19-11+