[(2S)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-3-aminocarbonyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-3-aminocarbonyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: [(1S)-2-(dibenzylamino)-1-methyl-2-oxo-ethyl] (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylic acid [(2S)-1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (5S)-5-carbamoyl-1-phenyl-2-pyrazoline-3-carboxylic acid [(1S)-2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=NN([C@@H](C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O4/c1-20(27(34)31(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22)36-28(35)24-17-25(26(29)33)32(30-24)23-15-9-4-10-16-23/h2-16,20,25H,17-19H2,1H3,(H2,29,33)/t20-,25-/m0/s1