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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-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-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H22N4O4/c1-16(27)25-13-11-22(12-14-25,17-7-3-2-4-8-17)21(29)30-15-26-20(28)18-9-5-6-10-19(18)23-24-26/h2-10H,11-15H2,1H3