ethyl 5-methyl-1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(2-morpholinoethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(2-morpholinoethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3CCOCC3)C

InChI

InChI=1S/C20H26N4O4/c1-3-28-20(26)18-14-22-24(15(18)2)17-6-4-16(5-7-17)19(25)21-8-9-23-10-12-27-13-11-23/h4-7,14H,3,8-13H2,1-2H3,(H,21,25)