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

Systemtic Name: 2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-phenylphthalazin-1-one Traditional Name: 2-[3-(4-benzylpiperazino)-3-keto-propyl]-4-phenyl-phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O2/c33-26(31-19-17-30(18-20-31)21-22-9-3-1-4-10-22)15-16-32-28(34)25-14-8-7-13-24(25)27(29-32)23-11-5-2-6-12-23/h1-14H,15-21H2