N-(4-bromophenyl)-N-methyl-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(4-bromophenyl)-N-methyl-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(4-bromophenyl)-N-methyl-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(4-bromophenyl)-N-methyl-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(4-bromophenyl)-N-methyl-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(4-bromophenyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-methyl-propionamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Br)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CN(C1=CC=C(C=C1)Br)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20BrN3O3/c1-24(17-8-6-16(22)7-9-17)20(27)10-12-23-19(26)14-25-13-11-15-4-2-3-5-18(15)21(25)28/h2-9,11,13H,10,12,14H2,1H3,(H,23,26)