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

Systemtic Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=CC=CC=C4N=N3)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=CC=CC=C4N=N3)OCC

InChI

InChI=1S/C21H24N4O3/c1-3-27-19-11-15-9-10-24(13-16(15)12-20(19)28-4-2)14-25-21(26)17-7-5-6-8-18(17)22-23-25/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3