ethyl 2-[[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-2-33-24(31)21-11-6-7-12-22(21)27-25(32)29-16-8-15-28(17-18-29)19-23(30)26-14-13-20-9-4-3-5-10-20/h3-7,9-12H,2,8,13-19H2,1H3,(H,26,30)(H,27,32)