3-[[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-(4-benzylpiperidine-1-carbonyl)benzyl]-1,2,3-benzotriazin-4-one Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H26N4O2/c32-26(30-16-14-21(15-17-30)18-20-6-2-1-3-7-20)23-12-10-22(11-13-23)19-31-27(33)24-8-4-5-9-25(24)28-29-31/h1-13,21H,14-19H2