2-[5-(4-methylphenyl)carbonyl-1-propyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(4-methylphenyl)carbonyl-1-propyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[5-(4-methylbenzoyl)-1-propyl-pyrrol-2-yl]acetonitrile CAS Name: 2-[5-[(4-methylphenyl)-oxomethyl]-1-propyl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[5-(4-methylbenzoyl)-1-propylpyrrol-2-yl]acetonitrile Traditional Name: 2-(1-propyl-5-p-toluoyl-pyrrol-2-yl)acetonitrile Formula: C17H18N2O MolecularWeight: 266.33762

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC=C1C(=O)C2=CC=C(C=C2)C)CC#N

Isomeric SMILES

CCCN1C(=CC=C1C(=O)C2=CC=C(C=C2)C)CC#N

InChI

InChI=1S/C17H18N2O/c1-3-12-19-15(10-11-18)8-9-16(19)17(20)14-6-4-13(2)5-7-14/h4-9H,3,10,12H2,1-2H3