[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-pyridylamino)ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-keto-1-methyl-2-(4-pyridylamino)ethyl] ester Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NC=C1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=NC=C1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C21H17N5O3/c1-13(20(27)24-16-6-9-22-10-7-16)29-21(28)14-4-5-17-18(11-14)26-19(25-17)15-3-2-8-23-12-15/h2-13H,1H3,(H,25,26)(H,22,24,27)