4-[4-(3,4-dimethoxyphenyl)-2-phenyl-5-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)-2-phenyl-5-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(3,4-dimethoxyphenyl)-2-phenyl-5-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carbonyl]benzonitrile CAS Name: 4-[[4-(3,4-dimethoxyphenyl)-5-[oxo(1-piperazinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-phenyl-3-pyrrolidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)-2-phenyl-5-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-2-phenyl-5-(piperazine-1-carbonyl)-1-(2-thenoyl)pyrrolidine-3-carbonyl]benzonitrile Formula: C36H34N4O5S MolecularWeight: 634.74396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4=CC=CS4)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4=CC=CS4)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)C#N)OC

InChI

InChI=1S/C36H34N4O5S/c1-44-27-15-14-26(21-28(27)45-2)30-31(34(41)25-12-10-23(22-37)11-13-25)32(24-7-4-3-5-8-24)40(35(42)29-9-6-20-46-29)33(30)36(43)39-18-16-38-17-19-39/h3-15,20-21,30-33,38H,16-19H2,1-2H3