5-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]pentanoate

Systemtic Name: 5-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]pentanoate Openeye Name: 5-[5-(azepan-1-yl)-2-oxo-1-pyridyl]pentanoate CAS Name: 5-[5-(1-azepanyl)-2-oxo-1-pyridinyl]pentanoate IUPAC Name: 5-[5-(azepan-1-yl)-2-oxopyridin-1-yl]pentanoate Traditional Name: 5-[5-(azepan-1-yl)-2-keto-1-pyridyl]valerate Formula: C16H23N2O3- MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCCCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCCCC(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c19-15-9-8-14(17-10-4-1-2-5-11-17)13-18(15)12-6-3-7-16(20)21/h8-9,13H,1-7,10-12H2,(H,20,21)/p-1