[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C20H20N4O3/c25-18(22-15-5-1-2-6-15)12-27-20(26)13-7-8-16-17(10-13)24-19(23-16)14-4-3-9-21-11-14/h3-4,7-11,15H,1-2,5-6,12H2,(H,22,25)(H,23,24)