1-[5-azanyl-1-[2,5-bis(fluoranyl)phenyl]-3-tert-butyl-pyrazol-4-yl]-3-prop-2-ynyl-urea

Systemtic Name: 1-[5-azanyl-1-[2,5-bis(fluoranyl)phenyl]-3-tert-butyl-pyrazol-4-yl]-3-prop-2-ynyl-urea Openeye Name: 1-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]-3-prop-2-ynyl-urea CAS Name: 1-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)-4-pyrazolyl]-3-prop-2-ynylurea IUPAC Name: 1-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]-3-prop-2-ynylurea Traditional Name: 1-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]-3-propargyl-urea Formula: C17H19F2N5O MolecularWeight: 347.362466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1NC(=O)NCC#C)N)C2=C(C=CC(=C2)F)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1NC(=O)NCC#C)N)C2=C(C=CC(=C2)F)F

InChI

InChI=1S/C17H19F2N5O/c1-5-8-21-16(25)22-13-14(17(2,3)4)23-24(15(13)20)12-9-10(18)6-7-11(12)19/h1,6-7,9H,8,20H2,2-4H3,(H2,21,22,25)