ethyl 5-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-1-(1-methyl-2-oxo-4-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-1-(1-methyl-2-oxo-4-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-1-(2-keto-1-methyl-4-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CN(C)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CN(C)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H26N6O3/c1-4-35-26(34)18-14-27-32(22-13-25(33)31(3)21-12-8-5-9-17(21)22)23(18)15-30(2)16-24-28-19-10-6-7-11-20(19)29-24/h5-14H,4,15-16H2,1-3H3,(H,28,29)