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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[phenethyl-(phenylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[oxo(3-pyridinyl)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(phenethyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C34H43N5O2 MolecularWeight: 553.73752

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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=CC=C5)CN

Isomeric SMILES

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

InChI

InChI=1S/C34H43N5O2/c35-21-28-13-7-14-29(19-28)22-37-33(40)32-20-31(25-39(32)34(41)30-15-8-17-36-23-30)38(24-27-11-5-2-6-12-27)18-16-26-9-3-1-4-10-26/h1-6,8-12,15,17,23,28-29,31-32H,7,13-14,16,18-22,24-25,35H2,(H,37,40)