methyl 2-(1,4-diazepan-1-yl)pyridine-4-carboxylate

Systemtic Name: methyl 2-(1,4-diazepan-1-yl)pyridine-4-carboxylate Openeye Name: methyl 2-(1,4-diazepan-1-yl)pyridine-4-carboxylate CAS Name: 2-(1,4-diazepan-1-yl)-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,4-diazepan-1-yl)pyridine-4-carboxylate Traditional Name: 2-(1,4-diazepan-1-yl)isonicotinic acid methyl ester Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC=C1)N2CCCNCC2

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)N2CCCNCC2

InChI

InChI=1S/C12H17N3O2/c1-17-12(16)10-3-5-14-11(9-10)15-7-2-4-13-6-8-15/h3,5,9,13H,2,4,6-8H2,1H3