3-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)CN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H24N4O3/c1-31-22-14-18-12-13-28(16-29-25(30)19-10-6-7-11-21(19)26-27-29)24(17-8-4-3-5-9-17)20(18)15-23(22)32-2/h3-11,14-15,24H,12-13,16H2,1-2H3/t24-/m1/s1