methyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoic acid methyl ester Formula: C24H19N5O2 MolecularWeight: 409.43996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H19N5O2/c1-31-24(30)16-12-10-15(11-13-16)22-17-6-2-3-7-18(17)23(29-28-22)25-14-21-26-19-8-4-5-9-20(19)27-21/h2-13H,14H2,1H3,(H,25,29)(H,26,27)