benzotriazol-1-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)N3C4=CC=CC=C4N=N3

InChI

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