3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-propanenitrile Openeye Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-propanenitrile CAS Name: 3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-2-methylpropanenitrile IUPAC Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropanenitrile Traditional Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-propionitrile Formula: C16H18N2 MolecularWeight: 238.32752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)CC(C)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)CC(C)C#N)C

InChI

InChI=1S/C16H18N2/c1-12(11-17)10-15-6-8-16(9-7-15)18-13(2)4-5-14(18)3/h4-9,12H,10H2,1-3H3