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

Systemtic Name: 4-(4-chlorophenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[2-keto-2-(4-phenylpiperazino)ethyl]phthalazin-1-one Formula: C26H23ClN4O2 MolecularWeight: 458.93942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H23ClN4O2/c27-20-12-10-19(11-13-20)25-22-8-4-5-9-23(22)26(33)31(28-25)18-24(32)30-16-14-29(15-17-30)21-6-2-1-3-7-21/h1-13H,14-18H2