4-[4-(2,2-diphenylethanoylamino)pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-(2,2-diphenylethanoylamino)pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(2,2-diphenylacetyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[(1-oxo-2,2-diphenylethyl)amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(2,2-diphenylacetyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(2,2-diphenylacetyl)amino]pyrazol-1-yl]butyrate Formula: C21H20N3O3- MolecularWeight: 362.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CN(N=C3)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CN(N=C3)CCCC(=O)[O-]

InChI

InChI=1S/C21H21N3O3/c25-19(26)12-7-13-24-15-18(14-22-24)23-21(27)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,14-15,20H,7,12-13H2,(H,23,27)(H,25,26)/p-1