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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])N1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C(=O)[O-])N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C15H22N2O3/c1-15(2,14(19)20)17-11-12(7-8-13(17)18)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)/p-1