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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[oxolan-2-ylmethyl-(phenylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-oxolanylmethyl-(phenylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(tetrahydrofurfuryl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C31H43N5O3 MolecularWeight: 533.70482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4CCCO4)CC5=CC=CC=C5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4CCCO4)CC5=CC=CC=C5)CN

InChI

InChI=1S/C31H43N5O3/c32-17-24-9-4-10-25(15-24)18-34-30(37)29-16-27(21-36(29)31(38)26-11-5-13-33-19-26)35(22-28-12-6-14-39-28)20-23-7-2-1-3-8-23/h1-3,5,7-8,11,13,19,24-25,27-29H,4,6,9-10,12,14-18,20-22,32H2,(H,34,37)