ethyl 2-(1,4-diazepan-1-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 2-(1,4-diazepan-1-yl)pyridine-3-carboxylate Openeye Name: ethyl 2-(1,4-diazepan-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,4-diazepan-1-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,4-diazepan-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,4-diazepan-1-yl)nicotinic acid ethyl ester Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)N2CCCNCC2

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)N2CCCNCC2

InChI

InChI=1S/C13H19N3O2/c1-2-18-13(17)11-5-3-7-15-12(11)16-9-4-6-14-8-10-16/h3,5,7,14H,2,4,6,8-10H2,1H3