3-[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide

Systemtic Name: 3-[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: 3-[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: 3-[1-(2-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: 3-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: 3-[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclohexyl-acrylamide Formula: C22H24BrN3O MolecularWeight: 426.34946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2Br)C)C=C(C#N)C(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2Br)C)C=C(C#N)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H24BrN3O/c1-15-12-17(16(2)26(15)21-11-7-6-10-20(21)23)13-18(14-24)22(27)25-19-8-4-3-5-9-19/h6-7,10-13,19H,3-5,8-9H2,1-2H3,(H,25,27)