3-(4-methylpiperazin-1-yl)-5-nitro-2H-isoquinolin-1-one

Systemtic Name: 3-(4-methylpiperazin-1-yl)-5-nitro-2H-isoquinolin-1-one Openeye Name: 3-(4-methylpiperazin-1-yl)-5-nitro-2H-isoquinolin-1-one CAS Name: 3-(4-methyl-1-piperazinyl)-5-nitro-2H-isoquinolin-1-one IUPAC Name: 3-(4-methylpiperazin-1-yl)-5-nitro-2H-isoquinolin-1-one Traditional Name: 3-(4-methylpiperazino)-5-nitro-isocarbostyril Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)N2

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C14H16N4O3/c1-16-5-7-17(8-6-16)13-9-11-10(14(19)15-13)3-2-4-12(11)18(20)21/h2-4,9H,5-8H2,1H3,(H,15,19)