1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidino]-2-methoxy-ethanone Formula: C28H37N5O5 MolecularWeight: 523.62388

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CC(CC1C(=O)N2CCCNCC2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)N1CC(CC1C(=O)N2CCCNCC2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H37N5O5/c1-38-21-27(34)32-20-25(18-26(32)28(35)30-15-5-13-29-14-17-30)31(16-12-22-6-3-2-4-7-22)19-23-8-10-24(11-9-23)33(36)37/h2-4,6-11,25-26,29H,5,12-21H2,1H3