5-methyl-3-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 5-methyl-3-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2H-isoquinolin-1-one Openeye Name: 5-methyl-3-(4-methyl-3-oxo-piperazin-1-yl)-2H-isoquinolin-1-one CAS Name: 5-methyl-3-(4-methyl-3-oxo-1-piperazinyl)-2H-isoquinolin-1-one IUPAC Name: 5-methyl-3-(4-methyl-3-oxopiperazin-1-yl)-2H-isoquinolin-1-one Traditional Name: 3-(3-keto-4-methyl-piperazino)-5-methyl-isocarbostyril Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(C(=O)C3)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(C(=O)C3)C

InChI

InChI=1S/C15H17N3O2/c1-10-4-3-5-11-12(10)8-13(16-15(11)20)18-7-6-17(2)14(19)9-18/h3-5,8H,6-7,9H2,1-2H3,(H,16,20)