2-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[(2-bromo-4,5-diethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[(2-bromo-4,5-diethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2-bromo-4,5-diethoxy-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2CC3=CC=CC=C3CC2C(=O)N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2CC3=CC=CC=C3CC2C(=O)N)Br)OCC

InChI

InChI=1S/C21H25BrN2O3/c1-3-26-19-10-16(17(22)11-20(19)27-4-2)13-24-12-15-8-6-5-7-14(15)9-18(24)21(23)25/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3,(H2,23,25)