benzotriazol-1-yl(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

Systemtic Name: benzotriazol-1-yl(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone Openeye Name: benzotriazol-1-yl(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone CAS Name: 1-benzotriazolyl(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone IUPAC Name: benzotriazol-1-yl(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone Traditional Name: benzotriazol-1-yl(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone Formula: C16H14N4O MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)C(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CNC(C2=CC=CC=C21)C(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H14N4O/c21-16(20-14-8-4-3-7-13(14)18-19-20)15-12-6-2-1-5-11(12)9-10-17-15/h1-8,15,17H,9-10H2