3-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-3-oxo-propanenitrile CAS Name: 3-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-3-oxopropanenitrile IUPAC Name: 3-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-3-oxopropanenitrile Traditional Name: 3-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-3-keto-propionitrile Formula: C17H18N2O MolecularWeight: 266.33762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CC#N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CC#N

InChI

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