(2-methoxy-5-nitro-phenyl)-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]methanone Formula: C27H25N5O4 MolecularWeight: 483.5185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C27H25N5O4/c1-18-7-9-19(10-8-18)25-21-5-3-4-6-22(21)26(29-28-25)30-13-15-31(16-14-30)27(33)23-17-20(32(34)35)11-12-24(23)36-2/h3-12,17H,13-16H2,1-2H3