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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[(4-methoxyphenyl)carbonyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-phenethyl-amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[[(4-methoxyphenyl)-oxomethyl]-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-nicotinoyl-4-[p-anisoyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C33H39N5O4 MolecularWeight: 569.69386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C33H39N5O4/c1-42-29-15-9-24(10-16-29)32(40)37(19-17-23-6-3-2-4-7-23)28-20-30(31(39)36-27-13-11-26(34)12-14-27)38(22-28)33(41)25-8-5-18-35-21-25/h2-10,15-16,18,21,26-28,30H,11-14,17,19-20,22,34H2,1H3,(H,36,39)