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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CN(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CC=C(C=C3)C#N

InChI

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