ethyl 5-methyl-1-[3-(3-phenylpropanoylamino)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-(3-phenylpropanoylamino)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-(3-phenylpropanoylamino)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-(3-phenylpropanoylamino)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[3-(hydrocinnamoylamino)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O3/c1-3-28-22(27)20-15-23-25(16(20)2)19-11-7-10-18(14-19)24-21(26)13-12-17-8-5-4-6-9-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,24,26)