1-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-3-(3-fluorophenyl)urea

Systemtic Name: 1-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-3-(3-fluorophenyl)urea Openeye Name: 1-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-3-(3-fluorophenyl)urea CAS Name: 1-(3-fluorophenyl)-3-[2-[1-(1-oxobut-2-ynyl)-4-piperidinyl]-3-pyrazolyl]urea IUPAC Name: 1-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-3-(3-fluorophenyl)urea Traditional Name: 1-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-3-(3-fluorophenyl)urea Formula: C19H20FN5O2 MolecularWeight: 369.392803

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C19H20FN5O2/c1-2-4-18(26)24-11-8-16(9-12-24)25-17(7-10-21-25)23-19(27)22-15-6-3-5-14(20)13-15/h3,5-7,10,13,16H,8-9,11-12H2,1H3,(H2,22,23,27)