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

Systemtic Name: 1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-1-yl]ethanone Openeye Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-1-yl]ethanone CAS Name: 1-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidin-1-yl]ethanone Traditional Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidino]ethanone Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O4/c1-21(33)31-20-25(18-26(31)27(34)29-15-5-13-28-14-17-29)30(16-12-22-6-3-2-4-7-22)19-23-8-10-24(11-9-23)32(35)36/h2-4,6-11,25-26,28H,5,12-20H2,1H3