(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4/c27-19-17-8-4-5-9-18(17)23-24-26(19)14-30-20(28)15-10-12-25(13-11-15)21(29)22-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,29)