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

Systemtic Name: 4-(4-chlorophenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-4-(4-chlorophenyl)phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperazino)-2-keto-ethyl]-4-(4-chlorophenyl)phthalazin-1-one Formula: C27H25ClN4O2 MolecularWeight: 472.966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O2/c28-22-12-10-21(11-13-22)26-23-8-4-5-9-24(23)27(34)32(29-26)19-25(33)31-16-14-30(15-17-31)18-20-6-2-1-3-7-20/h1-13H,14-19H2