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

Systemtic Name: (E)-2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]carbonyl-3-pyridin-3-yl-prop-2-enenitrile Openeye Name: (E)-2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carbonyl]-3-(3-pyridyl)prop-2-enenitrile CAS Name: (E)-2-[[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-3-(3-pyridinyl)-2-propenenitrile IUPAC Name: (E)-2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carbonyl]-3-pyridin-3-ylprop-2-enenitrile Traditional Name: (E)-2-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrole-3-carbonyl]-3-(3-pyridyl)acrylonitrile Formula: C22H18ClN3O MolecularWeight: 375.85082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)C(=CC3=CN=CC=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)/C(=C/C3=CN=CC=C3)/C#N

InChI

InChI=1S/C22H18ClN3O/c1-15-10-20(16(2)26(15)14-18-7-3-4-8-21(18)23)22(27)19(12-24)11-17-6-5-9-25-13-17/h3-11,13H,14H2,1-2H3/b19-11+