6-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carbonitrile Openeye Name: 6-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carbonitrile CAS Name: 6-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinecarbonitrile IUPAC Name: 6-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carbonitrile Traditional Name: 6-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]nicotinonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C17H17N3O3/c1-22-14-4-5-15(23-2)17-12(14)9-20(10-13(17)21)16-6-3-11(7-18)8-19-16/h3-6,8,13,21H,9-10H2,1-2H3/t13-/m1/s1