N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C27H35FN4O2S MolecularWeight: 498.655803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)F)CC5=CC=CS5

Isomeric SMILES

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)F)CC5=CC=CS5

InChI

InChI=1S/C27H35FN4O2S/c28-20-7-3-18(4-8-20)15-31(17-24-2-1-13-35-24)23-14-25(32(16-23)27(34)19-5-6-19)26(33)30-22-11-9-21(29)10-12-22/h1-4,7-8,13,19,21-23,25H,5-6,9-12,14-17,29H2,(H,30,33)