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

Systemtic Name: N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C28H37N5O4 MolecularWeight: 507.62448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H37N5O4/c1-20(34)32-19-26(17-27(32)28(35)30-24-11-9-23(29)10-12-24)31(16-15-21-5-3-2-4-6-21)18-22-7-13-25(14-8-22)33(36)37/h2-8,13-14,23-24,26-27H,9-12,15-19,29H2,1H3,(H,30,35)