N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22BrN3O4/c1-30-19-7-6-17(23)12-16(19)13-25-20(27)8-10-24-21(28)14-26-11-9-15-4-2-3-5-18(15)22(26)29/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,24,28)(H,25,27)