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

Systemtic Name: [1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(2-pyridylcarbamoyl)propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-oxo-1-(2-pyridinylamino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-2-ylamino)butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(2-pyridylcarbamoyl)propyl ester Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C22H19N5O3/c1-2-18(21(28)27-19-7-3-4-11-24-19)30-22(29)14-8-9-16-17(12-14)26-20(25-16)15-6-5-10-23-13-15/h3-13,18H,2H2,1H3,(H,25,26)(H,24,27,28)