N-(1-azanyl-1-oxidanylidene-propan-2-yl)-1-chloranyl-isoquinoline-3-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-1-chloranyl-isoquinoline-3-carboxamide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-1-chloro-isoquinoline-3-carboxamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-1-chloro-3-isoquinolinecarboxamide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-1-chloroisoquinoline-3-carboxamide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-1-chloro-isoquinoline-3-carboxamide Formula: C13H12ClN3O2 MolecularWeight: 277.70628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CC(C(=O)N)NC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

InChI

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