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

Systemtic Name: 4-[[3-(4-cyanophenyl)-2,4-dimethyl-5-(phenylmethyl)pyrrol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-benzyl-4-(4-cyanophenyl)-3,5-dimethyl-pyrrol-1-yl]methyl]benzonitrile CAS Name: 4-[[3-(4-cyanophenyl)-2,4-dimethyl-5-(phenylmethyl)-1-pyrrolyl]methyl]benzonitrile IUPAC Name: 4-[[2-benzyl-4-(4-cyanophenyl)-3,5-dimethylpyrrol-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-benzyl-4-(4-cyanophenyl)-3,5-dimethyl-pyrrol-1-yl]methyl]benzonitrile Formula: C28H23N3 MolecularWeight: 401.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C28H23N3/c1-20-27(16-22-6-4-3-5-7-22)31(19-25-10-8-23(17-29)9-11-25)21(2)28(20)26-14-12-24(18-30)13-15-26/h3-15H,16,19H2,1-2H3