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

Systemtic Name: N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O4/c27-13-14-28-25(32)24-16-23(18-30(24)26(33)21-8-9-21)29(15-12-19-4-2-1-3-5-19)17-20-6-10-22(11-7-20)31(34)35/h1-7,10-11,21,23-24H,8-9,12-18,27H2,(H,28,32)