1-cyclohexylcarbonyl-N-[(4-fluorophenyl)methyl]-3-(3-nitrophenyl)-4-(phenylcarbonyl)-5-thiophen-2-yl-pyrrolidine-2-carboxamide

Systemtic Name: 1-cyclohexylcarbonyl-N-[(4-fluorophenyl)methyl]-3-(3-nitrophenyl)-4-(phenylcarbonyl)-5-thiophen-2-yl-pyrrolidine-2-carboxamide Openeye Name: 4-benzoyl-1-(cyclohexanecarbonyl)-N-[(4-fluorophenyl)methyl]-3-(3-nitrophenyl)-5-(2-thienyl)pyrrolidine-2-carboxamide CAS Name: 4-benzoyl-1-[cyclohexyl(oxo)methyl]-N-[(4-fluorophenyl)methyl]-3-(3-nitrophenyl)-5-thiophen-2-yl-2-pyrrolidinecarboxamide IUPAC Name: 4-benzoyl-1-(cyclohexanecarbonyl)-N-[(4-fluorophenyl)methyl]-3-(3-nitrophenyl)-5-thiophen-2-ylpyrrolidine-2-carboxamide Traditional Name: 4-benzoyl-1-(cyclohexanecarbonyl)-N-(4-fluorobenzyl)-3-(3-nitrophenyl)-5-(2-thienyl)pyrrolidine-2-carboxamide Formula: C36H34FN3O5S MolecularWeight: 639.735663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(C(C(C2C(=O)NCC3=CC=C(C=C3)F)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(C(C(C2C(=O)NCC3=CC=C(C=C3)F)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C36H34FN3O5S/c37-27-18-16-23(17-19-27)22-38-35(42)33-30(26-13-7-14-28(21-26)40(44)45)31(34(41)24-9-3-1-4-10-24)32(29-15-8-20-46-29)39(33)36(43)25-11-5-2-6-12-25/h1,3-4,7-10,13-21,25,30-33H,2,5-6,11-12,22H2,(H,38,42)