4-[(7-methoxy-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(7-methoxy-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile CAS Name: 4-[(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile IUPAC Name: 4-[(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile Traditional Name: 4-[(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(CC2=C1)CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

COC1=C(C=C2CCN(CC2=C1)CC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C18H18N2O2/c1-22-18-9-16-12-20(7-6-15(16)8-17(18)21)11-14-4-2-13(10-19)3-5-14/h2-5,8-9,21H,6-7,11-12H2,1H3