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

Systemtic Name: propyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]benzoic acid propyl ester Formula: C26H23N5O2 MolecularWeight: 437.49312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N5O2/c1-2-15-33-26(32)18-13-11-17(12-14-18)24-19-7-3-4-8-20(19)25(31-30-24)27-16-23-28-21-9-5-6-10-22(21)29-23/h3-14H,2,15-16H2,1H3,(H,27,31)(H,28,29)