[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-cyclohexyl-methanone

Systemtic Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-cyclohexyl-methanone Openeye Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclohexyl-methanone CAS Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]-cyclohexylmethanone IUPAC Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclohexylmethanone Traditional Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidino]-cyclohexyl-methanone Formula: C37H44FN3O3S MolecularWeight: 629.826963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCCCC4)C5=CC=C(C=C5)F)C(=O)C6=CC=CS6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCCCC4)C5=CC=C(C=C5)F)C(=O)C6=CC=CS6

InChI

InChI=1S/C37H44FN3O3S/c1-37(2,3)27-15-11-24(12-16-27)30-31(34(42)29-10-7-23-45-29)32(25-13-17-28(38)18-14-25)41(35(43)26-8-5-4-6-9-26)33(30)36(44)40-21-19-39-20-22-40/h7,10-18,23,26,30-33,39H,4-6,8-9,19-22H2,1-3H3