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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperazino)-2-keto-ethyl]phthalazin-1-one Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H22N4O2/c26-20(16-25-21(27)19-9-5-4-8-18(19)14-22-25)24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2