4-[5-(3,4-dimethoxyphenyl)-4-ethyl-2-phenyl-1H-pyrrol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(3,4-dimethoxyphenyl)-4-ethyl-2-phenyl-1H-pyrrol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-(3,4-dimethoxyphenyl)-4-ethyl-2-phenyl-1H-pyrrol-3-yl]benzonitrile CAS Name: 4-[5-(3,4-dimethoxyphenyl)-4-ethyl-2-phenyl-1H-pyrrol-3-yl]benzonitrile IUPAC Name: 4-[5-(3,4-dimethoxyphenyl)-4-ethyl-2-phenyl-1H-pyrrol-3-yl]benzonitrile Traditional Name: 4-[5-(3,4-dimethoxyphenyl)-4-ethyl-2-phenyl-1H-pyrrol-3-yl]benzonitrile Formula: C27H24N2O2 MolecularWeight: 408.49166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C2=CC=C(C=C2)C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=C(NC(=C1C2=CC=C(C=C2)C#N)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H24N2O2/c1-4-22-25(19-12-10-18(17-28)11-13-19)27(20-8-6-5-7-9-20)29-26(22)21-14-15-23(30-2)24(16-21)31-3/h5-16,29H,4H2,1-3H3