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

Systemtic Name: ethyl 4-[4-[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C31H25N5O3 MolecularWeight: 515.5619

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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)OC

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)OC

InChI

InChI=1S/C31H25N5O3/c1-3-39-31(37)21-10-8-20(9-11-21)29-25-6-4-5-7-26(25)30(35-34-29)33-22-12-17-28-27(18-22)32-19-36(28)23-13-15-24(38-2)16-14-23/h4-19H,3H2,1-2H3,(H,33,35)