propan-2-yl 1-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[(E)-3-(4-fluorophenyl)acryloyl]amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C18H20FN3O3 MolecularWeight: 345.368103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C18H20FN3O3/c1-4-22-11-15(17(21-22)18(24)25-12(2)3)20-16(23)10-7-13-5-8-14(19)9-6-13/h5-12H,4H2,1-3H3,(H,20,23)/b10-7+