[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(indoline-1-carbonyl)propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(indoline-1-carbonyl)propyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

Isomeric SMILES

CCC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

InChI

InChI=1S/C25H22N4O3/c1-2-22(24(30)29-13-11-16-6-3-4-8-21(16)29)32-25(31)17-9-10-19-20(14-17)28-23(27-19)18-7-5-12-26-15-18/h3-10,12,14-15,22H,2,11,13H2,1H3,(H,27,28)