4-(4-chlorophenyl)-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]phthalazin-1-one

Systemtic Name: 4-(4-chlorophenyl)-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]phthalazin-1-one Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-4-(4-chlorophenyl)phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1-phthalazinone IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1-one Traditional Name: 2-[3-(4-benzylpiperazino)-3-keto-propyl]-4-(4-chlorophenyl)phthalazin-1-one Formula: C28H27ClN4O2 MolecularWeight: 486.99258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H27ClN4O2/c29-23-12-10-22(11-13-23)27-24-8-4-5-9-25(24)28(35)33(30-27)15-14-26(34)32-18-16-31(17-19-32)20-21-6-2-1-3-7-21/h1-13H,14-20H2