2-(3,4,5-trimethoxyphenyl)carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(3,4,5-trimethoxyphenyl)carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(3,4,5-trimethoxybenzoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(3,4,5-trimethoxybenzoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(3,4,5-trimethoxybenzoyl)-1H-isoquinoline-1-carbonitrile Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2C=CC3=CC=CC=C3C2C#N

InChI

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