4-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-(4-benzoylpiperazin-1-yl)-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-(4-benzoyl-1-piperazinyl)-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(4-benzoylpiperazino)-2-keto-ethyl]-2H-phthalazin-1-one Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c26-19(14-18-16-8-4-5-9-17(16)20(27)23-22-18)24-10-12-25(13-11-24)21(28)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,27)