(phenylmethyl) 4-(1-oxidanylidene-4-phenyl-2H-isoquinolin-3-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(1-oxidanylidene-4-phenyl-2H-isoquinolin-3-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(1-oxo-4-phenyl-2H-isoquinolin-3-yl)piperidine-1-carboxylate CAS Name: 4-(1-oxo-4-phenyl-2H-isoquinolin-3-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1-oxo-4-phenyl-2H-isoquinolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(1-keto-4-phenyl-2H-isoquinolin-3-yl)piperidine-1-carboxylic acid benzyl ester Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C3=CC=CC=C3C(=O)N2)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=C(C3=CC=CC=C3C(=O)N2)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O3/c31-27-24-14-8-7-13-23(24)25(21-11-5-2-6-12-21)26(29-27)22-15-17-30(18-16-22)28(32)33-19-20-9-3-1-4-10-20/h1-14,22H,15-19H2,(H,29,31)