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

Systemtic Name: methyl 4-[4-[[1-(4-methylphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[[1-(p-tolyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[[1-(4-methylphenyl)-5-benzimidazolyl]amino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[1-(4-methylphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[[1-(p-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=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

CC1=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/C30H23N5O2/c1-19-7-14-23(15-8-19)35-18-31-26-17-22(13-16-27(26)35)32-29-25-6-4-3-5-24(25)28(33-34-29)20-9-11-21(12-10-20)30(36)37-2/h3-18H,1-2H3,(H,32,34)