1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[1-[(3-methoxyphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[1-m-anisoyl-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidin-2-yl]methanone Formula: C33H39N5O5 MolecularWeight: 585.69326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H39N5O5/c1-43-30-10-5-9-27(21-30)32(39)37-24-29(22-31(37)33(40)35-18-6-16-34-17-20-35)36(19-15-25-7-3-2-4-8-25)23-26-11-13-28(14-12-26)38(41)42/h2-5,7-14,21,29,31,34H,6,15-20,22-24H2,1H3