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

Systemtic Name: N-(2-azanylethyl)-1-ethanoyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCCN)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCCN)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O4/c1-18(30)28-17-22(15-23(28)24(31)26-13-12-25)27(14-11-19-5-3-2-4-6-19)16-20-7-9-21(10-8-20)29(32)33/h2-10,22-23H,11-17,25H2,1H3,(H,26,31)