6-chloranyl-3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzoxazol-2-one Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C4=C(C=C(C=C4)Cl)OC3=O)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C4=C(C=C(C=C4)Cl)OC3=O)OCC

InChI

InChI=1S/C21H23ClN2O4/c1-3-26-19-9-14-7-8-23(12-15(14)10-20(19)27-4-2)13-24-17-6-5-16(22)11-18(17)28-21(24)25/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3