3-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]pyrazine-2-carboxylate

Systemtic Name: 3-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]pyrazine-2-carboxylate Openeye Name: 3-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazine-2-carboxylate CAS Name: 3-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazine-2-carboxylate Traditional Name: 3-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazinate Formula: C18H18N3O5- MolecularWeight: 356.35262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)C3=NC=CN=C3C(=O)[O-])OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)C3=NC=CN=C3C(=O)[O-])OC)OC

InChI

InChI=1S/C18H19N3O5/c1-10-12-9-14(26-3)13(25-2)8-11(12)4-7-21(10)17(22)15-16(18(23)24)20-6-5-19-15/h5-6,8-10H,4,7H2,1-3H3,(H,23,24)/p-1/t10-/m0/s1