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

Systemtic Name: methyl (3S)-2-(4-methylphenyl)-3-[[(1S)-1-phenylethyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (3S)-3-[[(1S)-1-phenylethyl]carbamoyl]-2-(p-tolyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: (3S)-2-(4-methylphenyl)-3-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-(4-methylphenyl)-3-[[(1S)-1-phenylethyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate Traditional Name: (5S)-5-[[(1S)-1-phenylethyl]carbamoyl]-1-(p-tolyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(CC(=N2)C(=O)OC)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H](CC(=N2)C(=O)OC)C(=O)N[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-14-9-11-17(12-10-14)24-19(13-18(23-24)21(26)27-3)20(25)22-15(2)16-7-5-4-6-8-16/h4-12,15,19H,13H2,1-3H3,(H,22,25)/t15-,19-/m0/s1