[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C18H21N3O3/c1-11-15(12(2)21(3)20-11)18(23)24-16(13-7-5-4-6-8-13)17(22)19-14-9-10-14/h4-8,14,16H,9-10H2,1-3H3,(H,19,22)