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

Systemtic Name: ethyl 4-[4-[[1-(2-methylphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 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=CC=C6C

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=CC=C6C

InChI

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