N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)phthalazin-1-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)phthalazin-1-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)phthalazin-1-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxy-3-nitrophenyl)-1-phthalazinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxy-3-nitrophenyl)phthalazin-1-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amine Formula: C23H18N6O3 MolecularWeight: 426.42742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O3/c1-32-20-11-10-14(12-19(20)29(30)31)22-15-6-2-3-7-16(15)23(28-27-22)24-13-21-25-17-8-4-5-9-18(17)26-21/h2-12H,13H2,1H3,(H,24,28)(H,25,26)