ethyl 1-[4-[2-(benzimidazol-1-yl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[2-(benzimidazol-1-yl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[2-(benzimidazol-1-yl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[2-(1-benzimidazolyl)ethylamino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[2-(benzimidazol-1-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[2-(benzimidazol-1-yl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3C=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3C=NC4=CC=CC=C43)C

InChI

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