4-[[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[1-oxo-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylate Formula: C21H27N4O4- MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

InChI

InChI=1S/C21H28N4O4/c26-19(22-14-15-9-11-16(12-10-15)21(28)29)8-2-1-5-13-25-20(27)17-6-3-4-7-18(17)23-24-25/h3-4,6-7,15-16H,1-2,5,8-14H2,(H,22,26)(H,28,29)/p-1