N-(4-fluorophenyl)-3-phenyl-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-3-phenyl-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: 4-benzoyl-N-(4-fluorophenyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidine-1-carboxamide CAS Name: 4-benzoyl-N-(4-fluorophenyl)-2-[oxo(1-piperazinyl)methyl]-3-phenyl-5-thiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: 4-benzoyl-N-(4-fluorophenyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-thiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: 4-benzoyl-N-(4-fluorophenyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidine-1-carboxamide Formula: C33H31FN4O3S MolecularWeight: 582.687643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)F)C4=CC=CS4)C(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1)C(=O)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)F)C4=CC=CS4)C(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H31FN4O3S/c34-24-13-15-25(16-14-24)36-33(41)38-29(26-12-7-21-42-26)28(31(39)23-10-5-2-6-11-23)27(22-8-3-1-4-9-22)30(38)32(40)37-19-17-35-18-20-37/h1-16,21,27-30,35H,17-20H2,(H,36,41)