N-(4-azanylcyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(3,3-dimethyl-1-oxobutyl)-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C31H43N5O3 MolecularWeight: 533.70482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C31H43N5O3/c1-31(2,3)19-28(37)35(17-15-22-8-5-4-6-9-22)26-18-27(29(38)34-25-13-11-24(32)12-14-25)36(21-26)30(39)23-10-7-16-33-20-23/h4-10,16,20,24-27H,11-15,17-19,21,32H2,1-3H3,(H,34,38)