(E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(1-phenylpyrazol-4-yl)acrylonitrile Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CN(N=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N4O/c1-4-10-25-16(2)11-21(17(25)3)22(27)19(13-23)12-18-14-24-26(15-18)20-8-6-5-7-9-20/h4-9,11-12,14-15H,1,10H2,2-3H3/b19-12+