3-[2,4-dimethyl-5-(2-phenylethanoyl)-1H-pyrrol-3-yl]propanenitrile

Systemtic Name: 3-[2,4-dimethyl-5-(2-phenylethanoyl)-1H-pyrrol-3-yl]propanenitrile Openeye Name: 3-[2,4-dimethyl-5-(2-phenylacetyl)-1H-pyrrol-3-yl]propanenitrile CAS Name: 3-[2,4-dimethyl-5-(1-oxo-2-phenylethyl)-1H-pyrrol-3-yl]propanenitrile IUPAC Name: 3-[2,4-dimethyl-5-(2-phenylacetyl)-1H-pyrrol-3-yl]propanenitrile Traditional Name: 3-[2,4-dimethyl-5-(2-phenylacetyl)-1H-pyrrol-3-yl]propionitrile Formula: C17H18N2O MolecularWeight: 266.33762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC#N)C)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1CCC#N)C)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O/c1-12-15(9-6-10-18)13(2)19-17(12)16(20)11-14-7-4-3-5-8-14/h3-5,7-8,19H,6,9,11H2,1-2H3