2-[2-nitro-5-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[2-nitro-5-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-nitro-5-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-nitro-5-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-nitro-5-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-nitro-5-[4-(2-phenylacetyl)piperazino]phenyl]-4-phenyl-phthalazin-1-one Formula: C32H27N5O4 MolecularWeight: 545.58788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)CC6=CC=CC=C6

InChI

InChI=1S/C32H27N5O4/c38-30(21-23-9-3-1-4-10-23)35-19-17-34(18-20-35)25-15-16-28(37(40)41)29(22-25)36-32(39)27-14-8-7-13-26(27)31(33-36)24-11-5-2-6-12-24/h1-16,22H,17-21H2