N-[[3-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C30H41N5O4 MolecularWeight: 535.67764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H41N5O4/c1-22(36)34-21-28(17-29(34)30(37)32-19-26-9-5-8-25(16-26)18-31)33(15-14-23-6-3-2-4-7-23)20-24-10-12-27(13-11-24)35(38)39/h2-4,6-7,10-13,25-26,28-29H,5,8-9,14-21,31H2,1H3,(H,32,37)