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

Systemtic Name: ethyl 4-[4-[[1-(4-methylphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C31H25N5O2 MolecularWeight: 499.5625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N(C=N5)C6=CC=C(C=C6)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N(C=N5)C6=CC=C(C=C6)C

InChI

InChI=1S/C31H25N5O2/c1-3-38-31(37)22-12-10-21(11-13-22)29-25-6-4-5-7-26(25)30(35-34-29)33-23-14-17-28-27(18-23)32-19-36(28)24-15-8-20(2)9-16-24/h4-19H,3H2,1-2H3,(H,33,35)