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

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [1-methyl-2-[(2-methyl-4-quinolyl)amino]-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-[(2-methyl-4-quinolinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-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-[(2-methyl-4-quinolyl)amino]ethyl] ester Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

InChI

InChI=1S/C26H21N5O3/c1-15-12-22(19-7-3-4-8-20(19)28-15)31-25(32)16(2)34-26(33)17-9-10-21-23(13-17)30-24(29-21)18-6-5-11-27-14-18/h3-14,16H,1-2H3,(H,29,30)(H,28,31,32)