4-[3-(4-cyanophenyl)carbonyl-1-cyclopentylcarbonyl-4-(3,4-dimethoxyphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-cyanophenyl)carbonyl-1-cyclopentylcarbonyl-4-(3,4-dimethoxyphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[3-(4-cyanobenzoyl)-1-(cyclopentanecarbonyl)-4-(3,4-dimethoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[3-[(4-cyanophenyl)-oxomethyl]-1-[cyclopentyl(oxo)methyl]-4-(3,4-dimethoxyphenyl)-5-[oxo(1-piperazinyl)methyl]-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[3-(4-cyanobenzoyl)-1-(cyclopentanecarbonyl)-4-(3,4-dimethoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[3-(4-cyanobenzoyl)-1-(cyclopentanecarbonyl)-4-(3,4-dimethoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Formula: C38H39N5O5 MolecularWeight: 645.74676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCCC4)C5=CC=C(C=C5)C#N)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)C4CCCC4)C5=CC=C(C=C5)C#N)C(=O)C6=CC=C(C=C6)C#N)OC

InChI

InChI=1S/C38H39N5O5/c1-47-30-16-15-29(21-31(30)48-2)32-33(36(44)27-13-9-25(23-40)10-14-27)34(26-11-7-24(22-39)8-12-26)43(37(45)28-5-3-4-6-28)35(32)38(46)42-19-17-41-18-20-42/h7-16,21,28,32-35,41H,3-6,17-20H2,1-2H3