4-(4-tert-butylphenyl)-N-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidine-1-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidine-1-carboxamide CAS Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(4-fluorophenyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinecarboxamide IUPAC Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidine-1-carboxamide Traditional Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidine-1-carboxamide Formula: C33H39FN4O3S MolecularWeight: 590.751163

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H39FN4O3S/c1-5-36-32(41)38-28(22-10-14-24(34)15-11-22)27(30(39)25-7-6-20-42-25)26(21-8-12-23(13-9-21)33(2,3)4)29(38)31(40)37-18-16-35-17-19-37/h6-15,20,26-29,35H,5,16-19H2,1-4H3,(H,36,41)