3-[4-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]butanoylamino]propanoate

Systemtic Name: 3-[4-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]butanoylamino]propanoate Openeye Name: 3-[4-[5-(azepan-1-yl)-2-oxo-1-pyridyl]butanoylamino]propanoate CAS Name: 3-[[4-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxobutyl]amino]propanoate IUPAC Name: 3-[4-[5-(azepan-1-yl)-2-oxopyridin-1-yl]butanoylamino]propanoate Traditional Name: 3-[4-[5-(azepan-1-yl)-2-keto-1-pyridyl]butanoylamino]propionate Formula: C18H26N3O4- MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c22-16(19-10-9-18(24)25)6-5-13-21-14-15(7-8-17(21)23)20-11-3-1-2-4-12-20/h7-8,14H,1-6,9-13H2,(H,19,22)(H,24,25)/p-1