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

Systemtic Name: ethyl 2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[(4-benzyl-1,4-diazepane-1-carbonyl)amino]benzoate CAS Name: 2-[[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzyl-1,4-diazepane-1-carbonyl)amino]benzoate Traditional Name: 2-[(4-benzyl-1,4-diazepane-1-carbonyl)amino]benzoic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-2-28-21(26)19-11-6-7-12-20(19)23-22(27)25-14-8-13-24(15-16-25)17-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3,(H,23,27)