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

Systemtic Name: methyl 4-[4-[(1,2-dimethylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C)C=CC(=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CC1=NC2=C(N1C)C=CC(=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)C(=O)OC

InChI

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