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

Systemtic Name: (E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-3-pyridin-4-yl-prop-2-enenitrile Openeye Name: (E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]-3-(4-pyridyl)prop-2-enenitrile CAS Name: (E)-2-[[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-3-pyridin-4-yl-2-propenenitrile IUPAC Name: (E)-2-[1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-3-pyridin-4-ylprop-2-enenitrile Traditional Name: (E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]-3-(4-pyridyl)acrylonitrile Formula: C21H16ClN3O MolecularWeight: 361.82424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(=CC3=CC=NC=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)/C(=C/C3=CC=NC=C3)/C#N

InChI

InChI=1S/C21H16ClN3O/c1-14-11-20(15(2)25(14)19-5-3-18(22)4-6-19)21(26)17(13-23)12-16-7-9-24-10-8-16/h3-12H,1-2H3/b17-12+