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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1CC3=CC=CC(=C3)C#N)O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1CC3=CC=CC(=C3)C#N)O)O

InChI

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