methyl 6-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(2-pyridylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-(2-pyridylmethyl)-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H22N4O3/c1-26-19(25)15-6-7-17(21-13-15)18(24)23-10-4-9-22(11-12-23)14-16-5-2-3-8-20-16/h2-3,5-8,13H,4,9-12,14H2,1H3