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

Systemtic Name: ethyl 2-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]acetate CAS Name: 2-[4-(1H-benzimidazol-2-ylmethylamino)-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]acetate Traditional Name: 2-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]acetic acid ethyl ester Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(C2=CC=CC=C21)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)CC1=NN=C(C2=CC=CC=C21)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H19N5O2/c1-2-27-19(26)11-17-13-7-3-4-8-14(13)20(25-24-17)21-12-18-22-15-9-5-6-10-16(15)23-18/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,23)