4-(1-cyclohexylcarbonyl-5-phenyl-2-piperazin-1-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl)benzenecarbonitrile

Systemtic Name: 4-(1-cyclohexylcarbonyl-5-phenyl-2-piperazin-1-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl)benzenecarbonitrile Openeye Name: 4-[1-(cyclohexanecarbonyl)-5-phenyl-2-(piperazine-1-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile CAS Name: 4-[1-[cyclohexyl(oxo)methyl]-2-[oxo(1-piperazinyl)methyl]-4-[oxo(thiophen-2-yl)methyl]-5-phenyl-3-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-(cyclohexanecarbonyl)-5-phenyl-2-(piperazine-1-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile Traditional Name: 4-[1-(cyclohexanecarbonyl)-5-phenyl-2-(piperazine-1-carbonyl)-4-(2-thenoyl)pyrrolidin-3-yl]benzonitrile Formula: C34H36N4O3S MolecularWeight: 580.73964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(C(C(C2C(=O)N3CCNCC3)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(C(C(C2C(=O)N3CCNCC3)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C34H36N4O3S/c35-22-23-13-15-24(16-14-23)28-29(32(39)27-12-7-21-42-27)30(25-8-3-1-4-9-25)38(33(40)26-10-5-2-6-11-26)31(28)34(41)37-19-17-36-18-20-37/h1,3-4,7-9,12-16,21,26,28-31,36H,2,5-6,10-11,17-20H2