ethyl 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[2-(ethylcarbamoylamino)-6-(3-pyridyl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylate CAS Name: 1-[2-(ethylcarbamoylamino)-6-(3-pyridinyl)-1H-benzimidazol-4-yl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylate Traditional Name: 1-[2-(ethylcarbamoylamino)-6-(3-pyridyl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2N3C=C(C=N3)C(=O)OCC)C4=CN=CC=C4

Isomeric SMILES

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2N3C=C(C=N3)C(=O)OCC)C4=CN=CC=C4

InChI

InChI=1S/C21H21N7O3/c1-3-23-21(30)27-20-25-16-8-14(13-6-5-7-22-10-13)9-17(18(16)26-20)28-12-15(11-24-28)19(29)31-4-2/h5-12H,3-4H2,1-2H3,(H3,23,25,26,27,30)