ethyl 4-[4-[(1,2-dimethylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(1,2-dimethylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[(1,2-dimethylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[(1,2-dimethyl-5-benzimidazolyl)amino]-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(1,2-dimethylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[(1,2-dimethylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoic acid ethyl ester Formula: C26H23N5O2 MolecularWeight: 437.49312

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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)C)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)C)C

InChI

InChI=1S/C26H23N5O2/c1-4-33-26(32)18-11-9-17(10-12-18)24-20-7-5-6-8-21(20)25(30-29-24)28-19-13-14-23-22(15-19)27-16(2)31(23)3/h5-15H,4H2,1-3H3,(H,28,30)