4-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]butanoate

Systemtic Name: 4-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]butanoate Openeye Name: 4-[5-(azepan-1-yl)-2-oxo-1-pyridyl]butanoate CAS Name: 4-[5-(1-azepanyl)-2-oxo-1-pyridinyl]butanoate IUPAC Name: 4-[5-(azepan-1-yl)-2-oxopyridin-1-yl]butanoate Traditional Name: 4-[5-(azepan-1-yl)-2-keto-1-pyridyl]butyrate Formula: C15H21N2O3- MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c18-14-8-7-13(16-9-3-1-2-4-10-16)12-17(14)11-5-6-15(19)20/h7-8,12H,1-6,9-11H2,(H,19,20)/p-1