N-(4-azanylcyclohexyl)-4-[cyclopropylcarbonyl(phenethyl)amino]-1-ethanoyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclopropylcarbonyl(phenethyl)amino]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[[cyclopropyl(oxo)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)C(=O)C4CC4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)C(=O)C4CC4

InChI

InChI=1S/C25H36N4O3/c1-17(30)29-16-22(15-23(29)24(31)27-21-11-9-20(26)10-12-21)28(25(32)19-7-8-19)14-13-18-5-3-2-4-6-18/h2-6,19-23H,7-16,26H2,1H3,(H,27,31)