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

Systemtic Name: 4-(4-chlorophenyl)-2-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[3-keto-3-(4-phenylpiperazino)propyl]phthalazin-1-one Formula: C27H25ClN4O2 MolecularWeight: 472.966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

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