(4-oxidanylidene-1,2,3-benzotriazin-3-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrochloride

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrochloride Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrochloride CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl) ester hydrochloride IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl) ester hydrochloride Formula: C35H32ClN5O3 MolecularWeight: 606.11328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)ON3C(=O)C4=CC=CC=C4N=N3)CCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)ON3C(=O)C4=CC=CC=C4N=N3)CCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6.Cl

InChI

InChI=1S/C35H31N5O3.ClH/c36-26-35(28-14-6-2-7-15-28,29-16-8-3-9-17-29)22-25-39-23-20-34(21-24-39,27-12-4-1-5-13-27)33(42)43-40-32(41)30-18-10-11-19-31(30)37-38-40;/h1-19H,20-25H2;1H