1-chloranyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-[2-(methylamino)-2-oxo-ethyl]isoquinoline-3-carboxamide CAS Name: 1-chloro-N-[2-(methylamino)-2-oxoethyl]-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-[2-(methylamino)-2-oxoethyl]isoquinoline-3-carboxamide Traditional Name: 1-chloro-N-[2-keto-2-(methylamino)ethyl]isoquinoline-3-carboxamide Formula: C13H12ClN3O2 MolecularWeight: 277.70628

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CNC(=O)CNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

InChI

InChI=1S/C13H12ClN3O2/c1-15-11(18)7-16-13(19)10-6-8-4-2-3-5-9(8)12(14)17-10/h2-6H,7H2,1H3,(H,15,18)(H,16,19)