5,6,7-trimethoxy-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 5,6,7-trimethoxy-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-5,6,7-trimethoxy-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-5,6,7-trimethoxy-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-5,6,7-trimethoxy-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-5,6,7-trimethoxy-1H-isoquinoline-1-carbonitrile Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=CN(C(C2=C1)C#N)C(=O)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C2C=CN(C(C2=C1)C#N)C(=O)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C20H18N2O4/c1-24-17-11-15-14(18(25-2)19(17)26-3)9-10-22(16(15)12-21)20(23)13-7-5-4-6-8-13/h4-11,16H,1-3H3