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

Systemtic Name: 4-(1-cyclohexylcarbonyl-2-piperazin-1-ylcarbonyl-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl)benzenecarbonitrile Openeye Name: 4-[1-(cyclohexanecarbonyl)-2-(piperazine-1-carbonyl)-5-(3-pyridyl)-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-(3-pyridinyl)-3-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-(cyclohexanecarbonyl)-2-(piperazine-1-carbonyl)-5-pyridin-3-yl-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile Traditional Name: 4-[1-(cyclohexanecarbonyl)-2-(piperazine-1-carbonyl)-5-(3-pyridyl)-4-(2-thenoyl)pyrrolidin-3-yl]benzonitrile Formula: C33H35N5O3S MolecularWeight: 581.7277

Click to see the large picture

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=CN=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=CN=CC=C6

InChI

InChI=1S/C33H35N5O3S/c34-20-22-10-12-23(13-11-22)27-28(31(39)26-9-5-19-42-26)29(25-8-4-14-36-21-25)38(32(40)24-6-2-1-3-7-24)30(27)33(41)37-17-15-35-16-18-37/h4-5,8-14,19,21,24,27-30,35H,1-3,6-7,15-18H2