ethyl 5-methyl-1-[4-[(2-phenylethanoylamino)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[(2-phenylethanoylamino)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[(1-oxo-2-phenylethyl)hydrazo]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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)NNC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NNC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O4/c1-3-30-22(29)19-14-23-26(15(19)2)18-11-9-17(10-12-18)21(28)25-24-20(27)13-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,24,27)(H,25,28)