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

Systemtic Name: 4-methyl-2-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[5-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one Traditional Name: 2-[5-(4-isobutyrylpiperazino)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C23H25N5O4 MolecularWeight: 435.4757

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)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-15(2)22(29)26-12-10-25(11-13-26)17-8-9-20(28(31)32)21(14-17)27-23(30)19-7-5-4-6-18(19)16(3)24-27/h4-9,14-15H,10-13H2,1-3H3