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

Systemtic Name: [1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-pyridylamino)ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-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-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-keto-1-methyl-2-(4-pyridylamino)ethyl] ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-14(21(27)24-17-9-11-23-12-10-17)29-22(28)16-7-8-18-19(13-16)26-20(25-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,25,26)(H,23,24,27)