[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 1-benzyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-3-23-20(26)15(2)28-21(27)18-14-25(13-16-8-5-4-6-9-16)24-19(18)17-10-7-11-22-12-17/h4-12,14-15H,3,13H2,1-2H3,(H,23,26)/t15-/m0/s1