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

Systemtic Name: methyl 4-[4-[[1-(2-methylphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[[1-(o-tolyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[[1-(2-methylphenyl)-5-benzimidazolyl]amino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[1-(2-methylphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[[1-(o-tolyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoic acid methyl ester Formula: C30H23N5O2 MolecularWeight: 485.53592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)NC4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)NC4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C30H23N5O2/c1-19-7-3-6-10-26(19)35-18-31-25-17-22(15-16-27(25)35)32-29-24-9-5-4-8-23(24)28(33-34-29)20-11-13-21(14-12-20)30(36)37-2/h3-18H,1-2H3,(H,32,34)