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

Systemtic Name: ethyl 4-[4-[(1-methylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[(1-methylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[(1-methyl-5-benzimidazolyl)amino]-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(1-methylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[(1-methylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoic acid ethyl ester Formula: C25H21N5O2 MolecularWeight: 423.46654

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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

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

InChI

InChI=1S/C25H21N5O2/c1-3-32-25(31)17-10-8-16(9-11-17)23-19-6-4-5-7-20(19)24(29-28-23)27-18-12-13-22-21(14-18)26-15-30(22)2/h4-15H,3H2,1-2H3,(H,27,29)