2-[5-(3,4-dimethylphenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(3,4-dimethylphenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanenitrile Openeye Name: 2-[1-benzyl-5-(3,4-dimethylbenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[5-[(3,4-dimethylphenyl)-oxomethyl]-1-(phenylmethyl)-2-pyrrolyl]acetonitrile IUPAC Name: 2-[1-benzyl-5-(3,4-dimethylbenzoyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-[1-benzyl-5-(3,4-dimethylbenzoyl)pyrrol-2-yl]acetonitrile Formula: C22H20N2O MolecularWeight: 328.407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=C(N2CC3=CC=CC=C3)CC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=C(N2CC3=CC=CC=C3)CC#N)C

InChI

InChI=1S/C22H20N2O/c1-16-8-9-19(14-17(16)2)22(25)21-11-10-20(12-13-23)24(21)15-18-6-4-3-5-7-18/h3-11,14H,12,15H2,1-2H3