5-bromanyl-8-methoxy-7-phenylmethoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine

Systemtic Name: 5-bromanyl-8-methoxy-7-phenylmethoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine Openeye Name: 7-benzyloxy-5-bromo-8-methoxy-N-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-amine CAS Name: 5-bromo-8-methoxy-7-phenylmethoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine IUPAC Name: 5-bromo-8-methoxy-7-phenylmethoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine Traditional Name: (7-benzoxy-5-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyridyl)amine Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CCC2=C(C=C1OCC3=CC=CC=C3)Br)NC4=CC=NC=C4

Isomeric SMILES

COC1=C2CN(CCC2=C(C=C1OCC3=CC=CC=C3)Br)NC4=CC=NC=C4

InChI

InChI=1S/C22H22BrN3O2/c1-27-22-19-14-26(25-17-7-10-24-11-8-17)12-9-18(19)20(23)13-21(22)28-15-16-5-3-2-4-6-16/h2-8,10-11,13H,9,12,14-15H2,1H3,(H,24,25)