3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propionamide Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H25N3O6/c1-30-18-12-16(13-19(31-2)22(18)32-3)25-20(27)8-10-24-21(28)14-26-11-9-15-6-4-5-7-17(15)23(26)29/h4-7,9,11-13H,8,10,14H2,1-3H3,(H,24,28)(H,25,27)