2-[5-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 4-methyl-2-[2-nitro-5-(4-p-anisoylpiperazino)phenyl]phthalazin-1-one Formula: C27H25N5O5 MolecularWeight: 499.5179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O5/c1-18-22-5-3-4-6-23(22)27(34)31(28-18)25-17-20(9-12-24(25)32(35)36)29-13-15-30(16-14-29)26(33)19-7-10-21(37-2)11-8-19/h3-12,17H,13-16H2,1-2H3