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

Systemtic Name: 4-methyl-2-[2-nitro-5-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-nitro-5-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-nitro-5-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-nitro-5-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[2-nitro-5-[4-(2-phenylacetyl)piperazino]phenyl]phthalazin-1-one Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O4/c1-19-22-9-5-6-10-23(22)27(34)31(28-19)25-18-21(11-12-24(25)32(35)36)29-13-15-30(16-14-29)26(33)17-20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3