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

Systemtic Name: 1-chloranyl-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-[2-(dimethylamino)-2-oxo-ethyl]isoquinoline-3-carboxamide CAS Name: 1-chloro-N-[2-(dimethylamino)-2-oxoethyl]-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-[2-(dimethylamino)-2-oxoethyl]isoquinoline-3-carboxamide Traditional Name: 1-chloro-N-[2-(dimethylamino)-2-keto-ethyl]isoquinoline-3-carboxamide Formula: C14H14ClN3O2 MolecularWeight: 291.73286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O2/c1-18(2)12(19)8-16-14(20)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-7H,8H2,1-2H3,(H,16,20)