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

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2-methyl-4-quinolyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-[(2-methyl-4-quinolinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(2-methyl-4-quinolyl)carbamoyl]propyl ester Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

InChI

InChI=1S/C27H23N5O3/c1-3-24(26(33)32-22-13-16(2)29-20-9-5-4-8-19(20)22)35-27(34)17-10-11-21-23(14-17)31-25(30-21)18-7-6-12-28-15-18/h4-15,24H,3H2,1-2H3,(H,30,31)(H,29,32,33)