N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-nicotinoyl-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C28H32N6O4 MolecularWeight: 516.59148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H32N6O4/c29-13-15-31-27(35)26-17-25(20-33(26)28(36)23-7-4-14-30-18-23)32(16-12-21-5-2-1-3-6-21)19-22-8-10-24(11-9-22)34(37)38/h1-11,14,18,25-26H,12-13,15-17,19-20,29H2,(H,31,35)