ethyl (3S)-2-(4-methylphenyl)-5-[[(1S)-1-phenylethyl]carbamoyl]-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl (3S)-2-(4-methylphenyl)-5-[[(1S)-1-phenylethyl]carbamoyl]-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl (3S)-5-[[(1S)-1-phenylethyl]carbamoyl]-2-(p-tolyl)-3,4-dihydropyrazole-3-carboxylate CAS Name: (3S)-2-(4-methylphenyl)-5-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-2-(4-methylphenyl)-5-[[(1S)-1-phenylethyl]carbamoyl]-3,4-dihydropyrazole-3-carboxylate Traditional Name: (3S)-5-[[(1S)-1-phenylethyl]carbamoyl]-2-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=NN1C2=CC=C(C=C2)C)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CC(=NN1C2=CC=C(C=C2)C)C(=O)N[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-4-28-22(27)20-14-19(24-25(20)18-12-10-15(2)11-13-18)21(26)23-16(3)17-8-6-5-7-9-17/h5-13,16,20H,4,14H2,1-3H3,(H,23,26)/t16-,20-/m0/s1