N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorobenzyl)-phenethyl-amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C34H42FN5O2 MolecularWeight: 571.727983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F)CN

InChI

InChI=1S/C34H42FN5O2/c35-30-13-11-26(12-14-30)23-39(17-15-25-6-2-1-3-7-25)31-19-32(40(24-31)34(42)29-10-5-16-37-22-29)33(41)38-21-28-9-4-8-27(18-28)20-36/h1-3,5-7,10-14,16,22,27-28,31-32H,4,8-9,15,17-21,23-24,36H2,(H,38,41)