4-[[3-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]methyl]benzonitrile CAS Name: 4-[[3-(4-cyanophenyl)-2,5-dimethyl-1-pyrrolyl]methyl]benzonitrile IUPAC Name: 4-[[3-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]methyl]benzonitrile Traditional Name: 4-[[3-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]methyl]benzonitrile Formula: C21H17N3 MolecularWeight: 311.37978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N3/c1-15-11-21(20-9-7-18(13-23)8-10-20)16(2)24(15)14-19-5-3-17(12-22)4-6-19/h3-11H,14H2,1-2H3