3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-1,2,3-benzotriazin-4-one Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H20N4O2/c25-19(23-13-11-15-6-1-2-7-16(15)14-23)10-5-12-24-20(26)17-8-3-4-9-18(17)21-22-24/h1-4,6-9H,5,10-14H2