methyl 1-[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]isonipecotic acid methyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H28N4O4/c1-30-22(29)17-10-12-25(13-11-17)20(27)16-8-6-15(7-9-16)14-26-21(28)18-4-2-3-5-19(18)23-24-26/h2-5,15-17H,6-14H2,1H3