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

Systemtic Name: ethyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)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)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O2/c1-2-32-25(31)17-13-11-16(12-14-17)23-18-7-3-4-8-19(18)24(30-29-23)26-15-22-27-20-9-5-6-10-21(20)28-22/h3-14H,2,15H2,1H3,(H,26,30)(H,27,28)