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

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-fluorophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-fluorophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C30H39FN4O2 MolecularWeight: 506.654663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C30H39FN4O2/c31-24-10-6-22(7-11-24)19-34(17-16-21-4-2-1-3-5-21)27-18-28(35(20-27)30(37)23-8-9-23)29(36)33-26-14-12-25(32)13-15-26/h1-7,10-11,23,25-28H,8-9,12-20,32H2,(H,33,36)