N-(4-azanylcyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-[(4-fluorophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Formula: C33H45FN4O2 MolecularWeight: 548.734403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C33H45FN4O2/c34-27-13-11-26(12-14-27)33(40)38-23-30(21-31(38)32(39)36-29-17-15-28(35)16-18-29)37(22-25-9-5-2-6-10-25)20-19-24-7-3-1-4-8-24/h1,3-4,7-8,11-14,25,28-31H,2,5-6,9-10,15-23,35H2,(H,36,39)