2-(2-nitro-5-piperazin-1-yl-phenyl)phthalazin-1-one hydrochloride

Systemtic Name: 2-(2-nitro-5-piperazin-1-yl-phenyl)phthalazin-1-one hydrochloride Openeye Name: 2-(2-nitro-5-piperazin-1-yl-phenyl)phthalazin-1-one hydrochloride CAS Name: 2-[2-nitro-5-(1-piperazinyl)phenyl]-1-phthalazinone hydrochloride IUPAC Name: 2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one hydrochloride Traditional Name: 2-(2-nitro-5-piperazino-phenyl)phthalazin-1-one hydrochloride Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3.Cl

InChI

InChI=1S/C18H17N5O3.ClH/c24-18-15-4-2-1-3-13(15)12-20-22(18)17-11-14(5-6-16(17)23(25)26)21-9-7-19-8-10-21;/h1-6,11-12,19H,7-10H2;1H