(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-3-pyridin-4-yl-prop-2-enenitrile

Systemtic Name: (E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-3-pyridin-4-yl-prop-2-enenitrile Openeye Name: (E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]-3-(4-pyridyl)prop-2-enenitrile CAS Name: (E)-2-[[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-3-pyridin-4-yl-2-propenenitrile IUPAC Name: (E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrole-3-carbonyl]-3-pyridin-4-ylprop-2-enenitrile Traditional Name: (E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]-3-(4-pyridyl)acrylonitrile Formula: C23H21N3O MolecularWeight: 355.43234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)C(=CC3=CC=NC=C3)C#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)/C(=C/C3=CC=NC=C3)/C#N)C)C

InChI

InChI=1S/C23H21N3O/c1-15-5-6-21(11-16(15)2)26-17(3)12-22(18(26)4)23(27)20(14-24)13-19-7-9-25-10-8-19/h5-13H,1-4H3/b20-13+