[4-(benzotriazol-1-ylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C25H24N4O3/c1-31-23-13-19-11-12-28(16-20(19)14-24(23)32-2)25(30)18-9-7-17(8-10-18)15-29-22-6-4-3-5-21(22)26-27-29/h3-10,13-14H,11-12,15-16H2,1-2H3