ethyl 1-[4-(1H-benzimidazol-2-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(1H-benzimidazol-2-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(1H-benzimidazol-2-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(1H-benzimidazol-2-ylamino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1H-benzimidazol-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(1H-benzimidazol-2-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C21H19N5O3/c1-3-29-20(28)16-12-22-26(13(16)2)15-10-8-14(9-11-15)19(27)25-21-23-17-6-4-5-7-18(17)24-21/h4-12H,3H2,1-2H3,(H2,23,24,25,27)