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

Systemtic Name: 2-[1-[2-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-1-yl]cyclobutyl]benzenecarbonitrile Openeye Name: 2-[1-(6,7-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutyl]benzonitrile CAS Name: 2-[1-(6,7-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutyl]benzonitrile IUPAC Name: 2-[1-(6,7-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutyl]benzonitrile Traditional Name: 2-[1-(6,7-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutyl]benzonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1C3(CCC3)C4=CC=CC=C4C#N)O)O

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1C3(CCC3)C4=CC=CC=C4C#N)O)O

InChI

InChI=1S/C21H22N2O2/c1-23-10-7-14-11-18(24)19(25)12-16(14)20(23)21(8-4-9-21)17-6-3-2-5-15(17)13-22/h2-3,5-6,11-12,20,24-25H,4,7-10H2,1H3