N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-fluorophenyl)carbonyl-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-fluorophenyl)carbonyl-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-fluorobenzoyl)-4-[o-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[(4-fluorophenyl)-oxomethyl]-4-[(2-methylphenyl)methyl-(2-oxolanylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-fluorobenzoyl)-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-fluorobenzoyl)-4-[(2-methylbenzyl)-(tetrahydrofurfuryl)amino]pyrrolidine-2-carboxamide Formula: C33H45FN4O3 MolecularWeight: 564.733803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCCO2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)NCC5CCCC(C5)CN

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCCO2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C33H45FN4O3/c1-23-6-2-3-9-27(23)20-37(22-30-10-5-15-41-30)29-17-31(32(39)36-19-25-8-4-7-24(16-25)18-35)38(21-29)33(40)26-11-13-28(34)14-12-26/h2-3,6,9,11-14,24-25,29-31H,4-5,7-8,10,15-22,35H2,1H3,(H,36,39)