dimethyl 5-(1-pyridin-2-yl-1,4-diazepan-2-yl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(1-pyridin-2-yl-1,4-diazepan-2-yl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[1-(2-pyridyl)-1,4-diazepan-2-yl]benzene-1,3-dicarboxylate CAS Name: 5-[1-(2-pyridinyl)-1,4-diazepan-2-yl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1-pyridin-2-yl-1,4-diazepan-2-yl)benzene-1,3-dicarboxylate Traditional Name: 5-[1-(2-pyridyl)-1,4-diazepan-2-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2CNCCCN2C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2CNCCCN2C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C20H23N3O4/c1-26-19(24)15-10-14(11-16(12-15)20(25)27-2)17-13-21-7-5-9-23(17)18-6-3-4-8-22-18/h3-4,6,8,10-12,17,21H,5,7,9,13H2,1-2H3