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

Systemtic Name: (5-bromanylbenzotriazol-1-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (5-bromobenzotriazol-1-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (5-bromo-1-benzotriazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (5-bromobenzotriazol-1-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (5-bromobenzotriazol-1-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C16H13BrN4O MolecularWeight: 357.20462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)N3C4=C(C=C(C=C4)Br)N=N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)N3C4=C(C=C(C=C4)Br)N=N3

InChI

InChI=1S/C16H13BrN4O/c17-13-5-6-15-14(9-13)18-19-21(15)16(22)20-8-7-11-3-1-2-4-12(11)10-20/h1-6,9H,7-8,10H2