dimethyl 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H27N5O5/c1-24-8-5-22-18(24)14-25-6-4-7-26(10-9-25)21(29)23-17-12-15(19(27)30-2)11-16(13-17)20(28)31-3/h5,8,11-13H,4,6-7,9-10,14H2,1-3H3,(H,23,29)