2-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)-3-phenyl-propanenitrile

Systemtic Name: 2-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)-3-phenyl-propanenitrile Openeye Name: 2-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)-3-phenyl-propanenitrile CAS Name: 2-[4,5-dimethoxy-2-(1-pyrrolyl)phenyl]-3-phenylpropanenitrile IUPAC Name: 2-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)-3-phenylpropanenitrile Traditional Name: 2-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)-3-phenyl-propionitrile Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CC2=CC=CC=C2)C#N)N3C=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CC2=CC=CC=C2)C#N)N3C=CC=C3)OC

InChI

InChI=1S/C21H20N2O2/c1-24-20-13-18(17(15-22)12-16-8-4-3-5-9-16)19(14-21(20)25-2)23-10-6-7-11-23/h3-11,13-14,17H,12H2,1-2H3