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

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(5-chloro-2-pyridyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(5-chloro-2-pyridyl)carbamoyl]propyl ester Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C17H15ClN4O3/c1-2-14(16(23)22-15-6-4-11(18)8-19-15)25-17(24)10-3-5-12-13(7-10)21-9-20-12/h3-9,14H,2H2,1H3,(H,20,21)(H,19,22,23)