ethyl 1-[3-[3-(benzimidazol-1-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[3-(benzimidazol-1-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[3-(benzimidazol-1-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[3-(1-benzimidazolyl)-1-oxopropyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(benzimidazol-1-yl)propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[3-(benzimidazol-1-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C43)C

InChI

InChI=1S/C23H23N5O3/c1-3-31-23(30)19-14-25-28(16(19)2)18-8-6-7-17(13-18)26-22(29)11-12-27-15-24-20-9-4-5-10-21(20)27/h4-10,13-15H,3,11-12H2,1-2H3,(H,26,29)