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

Systemtic Name: 2-[5-(3,4-dimethylphenyl)carbonyl-3-(phenylmethyl)-1H-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[3-benzyl-5-(3,4-dimethylbenzoyl)-1H-pyrrol-2-yl]acetonitrile CAS Name: 2-[5-[(3,4-dimethylphenyl)-oxomethyl]-3-(phenylmethyl)-1H-pyrrol-2-yl]acetonitrile IUPAC Name: 2-[3-benzyl-5-(3,4-dimethylbenzoyl)-1H-pyrrol-2-yl]acetonitrile Traditional Name: 2-[3-benzyl-5-(3,4-dimethylbenzoyl)-1H-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(N2)CC#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC(=C(N2)CC#N)CC3=CC=CC=C3)C

InChI

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