4-[[6-(azepan-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-(azepan-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-(azepan-1-yl)-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-(1-azepanyl)-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-(azepan-1-yl)pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-(azepan-1-yl)-3-pyridyl]amino]-4-keto-butyric acid Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C15H21N3O3/c19-14(7-8-15(20)21)17-12-5-6-13(16-11-12)18-9-3-1-2-4-10-18/h5-6,11H,1-4,7-10H2,(H,17,19)(H,20,21)