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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropyl-(4-nitrobenzyl)amino]pyrrolidine-2-carboxamide Formula: C23H33N5O4 MolecularWeight: 443.53922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C23H33N5O4/c1-15(29)26-14-21(12-22(26)23(30)25-18-6-4-17(24)5-7-18)27(19-10-11-19)13-16-2-8-20(9-3-16)28(31)32/h2-3,8-9,17-19,21-22H,4-7,10-14,24H2,1H3,(H,25,30)