[2-(butylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)COC(=O)CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3/c1-2-3-9-18-16(21)13-23-17(22)10-14-11-19-20(12-14)15-7-5-4-6-8-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,18,21)