methyl 4-[4-[(1-phenylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[(1-phenylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[(1-phenylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[(1-phenyl-5-benzimidazolyl)amino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(1-phenylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[(1-phenylbenzimidazol-5-yl)amino]phthalazin-1-yl]benzoic acid methyl ester Formula: C29H21N5O2 MolecularWeight: 471.50934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N(C=N5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N(C=N5)C6=CC=CC=C6

InChI

InChI=1S/C29H21N5O2/c1-36-29(35)20-13-11-19(12-14-20)27-23-9-5-6-10-24(23)28(33-32-27)31-21-15-16-26-25(17-21)30-18-34(26)22-7-3-2-4-8-22/h2-18H,1H3,(H,31,33)