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

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C29H32FN5O4 MolecularWeight: 533.593883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32FN5O4/c30-24-10-8-23(9-11-24)29(37)34-20-26(18-27(34)28(36)32-16-15-31)33(17-14-21-4-2-1-3-5-21)19-22-6-12-25(13-7-22)35(38)39/h1-13,26-27H,14-20,31H2,(H,32,36)