dimethyl 5-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H28N4O5/c1-16-6-4-7-19(24-16)15-26-8-5-9-27(11-10-26)23(30)25-20-13-17(21(28)31-2)12-18(14-20)22(29)32-3/h4,6-7,12-14H,5,8-11,15H2,1-3H3,(H,25,30)