methyl 1-cyclopropyl-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]benzimidazole-5-carboxylate

Systemtic Name: methyl 1-cyclopropyl-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]benzimidazole-5-carboxylate Openeye Name: methyl 1-cyclopropyl-2-[2-oxo-2-(3-pyridylmethylamino)ethyl]benzimidazole-5-carboxylate CAS Name: 1-cyclopropyl-2-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzimidazole-5-carboxylate Traditional Name: 1-cyclopropyl-2-[2-keto-2-(3-pyridylmethylamino)ethyl]benzimidazole-5-carboxylic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)CC(=O)NCC3=CN=CC=C3)C4CC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)CC(=O)NCC3=CN=CC=C3)C4CC4

InChI

InChI=1S/C20H20N4O3/c1-27-20(26)14-4-7-17-16(9-14)23-18(24(17)15-5-6-15)10-19(25)22-12-13-3-2-8-21-11-13/h2-4,7-9,11,15H,5-6,10,12H2,1H3,(H,22,25)