methyl 4-[4-[[2-methyl-1-(phenylmethyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[[2-methyl-1-(phenylmethyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[(1-benzyl-2-methyl-benzimidazol-5-yl)amino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[[2-methyl-1-(phenylmethyl)-5-benzimidazolyl]amino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(1-benzyl-2-methylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[(1-benzyl-2-methyl-benzimidazol-5-yl)amino]phthalazin-1-yl]benzoic acid methyl ester Formula: C31H25N5O2 MolecularWeight: 499.5625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C31H25N5O2/c1-20-32-27-18-24(16-17-28(27)36(20)19-21-8-4-3-5-9-21)33-30-26-11-7-6-10-25(26)29(34-35-30)22-12-14-23(15-13-22)31(37)38-2/h3-18H,19H2,1-2H3,(H,33,35)