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

Systemtic Name: methyl 4-[4-[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[[1-(4-methoxyphenyl)-5-benzimidazolyl]amino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoic acid methyl ester Formula: C30H23N5O3 MolecularWeight: 501.53532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NC4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NC4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C30H23N5O3/c1-37-23-14-12-22(13-15-23)35-18-31-26-17-21(11-16-27(26)35)32-29-25-6-4-3-5-24(25)28(33-34-29)19-7-9-20(10-8-19)30(36)38-2/h3-18H,1-2H3,(H,32,34)