N-(3-azanyl-3-oxidanylidene-propyl)-1-chloranyl-isoquinoline-3-carboxamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-1-chloranyl-isoquinoline-3-carboxamide Openeye Name: N-(3-amino-3-oxo-propyl)-1-chloro-isoquinoline-3-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-1-chloro-3-isoquinolinecarboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-1-chloroisoquinoline-3-carboxamide Traditional Name: N-(3-amino-3-keto-propyl)-1-chloro-isoquinoline-3-carboxamide Formula: C13H12ClN3O2 MolecularWeight: 277.70628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O2/c14-12-9-4-2-1-3-8(9)7-10(17-12)13(19)16-6-5-11(15)18/h1-4,7H,5-6H2,(H2,15,18)(H,16,19)