2-fluoranyl-N-[1-[2-[(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]pyrazol-4-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[1-[2-[(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]pyrazol-4-yl]benzamide Openeye Name: 2-fluoro-N-[1-[2-[[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]amino]-2-oxo-ethyl]pyrazol-4-yl]benzamide CAS Name: 2-fluoro-N-[1-[2-[[1-(1-imidazolyl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-pyrazolyl]benzamide IUPAC Name: 2-fluoro-N-[1-[2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]benzamide Traditional Name: 2-fluoro-N-[1-[2-[[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]amino]-2-keto-ethyl]pyrazol-4-yl]benzamide Formula: C21H25FN6O2 MolecularWeight: 412.460603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)NC(=O)CN2C=C(C=N2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C(CN1C=CN=C1)NC(=O)CN2C=C(C=N2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN6O2/c1-21(2,3)18(12-27-9-8-23-14-27)26-19(29)13-28-11-15(10-24-28)25-20(30)16-6-4-5-7-17(16)22/h4-11,14,18H,12-13H2,1-3H3,(H,25,30)(H,26,29)