3-(3-oxidanylidenepiperazin-1-yl)carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)carbonyl-2H-isoquinolin-1-one Openeye Name: 3-(3-oxopiperazine-1-carbonyl)-2H-isoquinolin-1-one CAS Name: 3-[oxo-(3-oxo-1-piperazinyl)methyl]-2H-isoquinolin-1-one IUPAC Name: 3-(3-oxopiperazine-1-carbonyl)-2H-isoquinolin-1-one Traditional Name: 3-(3-ketopiperazine-1-carbonyl)isocarbostyril Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C14H13N3O3/c18-12-8-17(6-5-15-12)14(20)11-7-9-3-1-2-4-10(9)13(19)16-11/h1-4,7H,5-6,8H2,(H,15,18)(H,16,19)