dimethyl 5-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-pyridylmethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-pyridylmethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC3=CC=NC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C22H26N4O5/c1-30-20(27)17-12-18(21(28)31-2)14-19(13-17)24-22(29)26-9-3-8-25(10-11-26)15-16-4-6-23-7-5-16/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,24,29)