N-(4-azanylcyclohexyl)-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[oxo(3-pyridinyl)methyl]-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(2-thenyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C29H35N5O2S MolecularWeight: 517.6855

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C29H35N5O2S/c30-23-10-12-24(13-11-23)32-28(35)27-16-25(19-34(27)29(36)22-8-4-14-31-17-22)33(20-26-9-5-15-37-26)18-21-6-2-1-3-7-21/h1-9,14-15,17,23-25,27H,10-13,16,18-20,30H2,(H,32,35)