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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-chloranyl-isoquinoline-3-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-chloro-isoquinoline-3-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-chloro-3-isoquinolinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-chloroisoquinoline-3-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-chloro-isoquinoline-3-carboxamide Formula: C12H10ClN3O2 MolecularWeight: 263.6797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NCC(=O)N

InChI

InChI=1S/C12H10ClN3O2/c13-11-8-4-2-1-3-7(8)5-9(16-11)12(18)15-6-10(14)17/h1-5H,6H2,(H2,14,17)(H,15,18)