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

Systemtic Name: (E)-3-(4-bromophenyl)-2-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-bromophenyl)-2-(1-cyclopentyl-2,5-dimethyl-pyrrole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-bromophenyl)-2-[(1-cyclopentyl-2,5-dimethyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-bromophenyl)-2-(1-cyclopentyl-2,5-dimethylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-bromophenyl)-2-(1-cyclopentyl-2,5-dimethyl-pyrrole-3-carbonyl)acrylonitrile Formula: C21H21BrN2O MolecularWeight: 397.30824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCC2)C)C(=O)C(=CC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CCCC2)C)C(=O)/C(=C/C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H21BrN2O/c1-14-11-20(15(2)24(14)19-5-3-4-6-19)21(25)17(13-23)12-16-7-9-18(22)10-8-16/h7-12,19H,3-6H2,1-2H3/b17-12+