4-(4-chlorophenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 4-(4-chlorophenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]phthalazin-1-one Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-24-10-12-25(13-11-24)19(27)14-26-21(28)18-5-3-2-4-17(18)20(23-26)15-6-8-16(22)9-7-15/h2-9H,10-14H2,1H3/p+1