2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanenitrile

Systemtic Name: 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanenitrile Openeye Name: 2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acetonitrile CAS Name: 2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]acetonitrile IUPAC Name: 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetonitrile Traditional Name: 2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acetonitrile Formula: C15H16N2 MolecularWeight: 224.30094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)CC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)CC#N)C

InChI

InChI=1S/C15H16N2/c1-11-4-6-15(7-5-11)17-12(2)10-14(8-9-16)13(17)3/h4-7,10H,8H2,1-3H3