(1S)-2-ethanoyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S)-2-ethanoyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile Openeye Name: (1S)-2-acetyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile CAS Name: (1S)-2-acetyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S)-2-acetyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile Traditional Name: (1S)-2-acetyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=C(C=C(C=C2C1C#N)OC)OC

Isomeric SMILES

CC(=O)N1C=CC2=C(C=C(C=C2[C@H]1C#N)OC)OC

InChI

InChI=1S/C14H14N2O3/c1-9(17)16-5-4-11-12(13(16)8-15)6-10(18-2)7-14(11)19-3/h4-7,13H,1-3H3/t13-/m1/s1