4-[5-(4-cyanophenyl)-1-cyclohexylcarbonyl-2-piperazin-1-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-cyanophenyl)-1-cyclohexylcarbonyl-2-piperazin-1-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-(piperazine-1-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile CAS Name: 4-[5-(4-cyanophenyl)-1-[cyclohexyl(oxo)methyl]-2-[oxo(1-piperazinyl)methyl]-4-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]benzonitrile IUPAC Name: 4-[5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-(piperazine-1-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile Traditional Name: 4-[5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-(piperazine-1-carbonyl)-4-(2-thenoyl)pyrrolidin-3-yl]benzonitrile Formula: C35H35N5O3S MolecularWeight: 605.7491

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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=C(C=C6)C#N

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=C(C=C6)C#N

InChI

InChI=1S/C35H35N5O3S/c36-21-23-8-12-25(13-9-23)29-30(33(41)28-7-4-20-44-28)31(26-14-10-24(22-37)11-15-26)40(34(42)27-5-2-1-3-6-27)32(29)35(43)39-18-16-38-17-19-39/h4,7-15,20,27,29-32,38H,1-3,5-6,16-19H2