4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[[(E)-3-(4-fluorophenyl)acryloyl]amino]pyrazol-1-yl]butyrate Formula: C16H15FN3O3- MolecularWeight: 316.307003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=CN(N=C2)CCCC(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC2=CN(N=C2)CCCC(=O)[O-])F

InChI

InChI=1S/C16H16FN3O3/c17-13-6-3-12(4-7-13)5-8-15(21)19-14-10-18-20(11-14)9-1-2-16(22)23/h3-8,10-11H,1-2,9H2,(H,19,21)(H,22,23)/p-1/b8-5+