4-tert-butyl-N-[1-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[1-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]benzamide CAS Name: 4-tert-butyl-N-[1-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-1-oxopropan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[1-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[4-(2-cyano-3-fluoro-phenyl)piperazino]-2-keto-1-methyl-ethyl]benzamide Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C(=CC=C2)F)C#N)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=C(C(=CC=C2)F)C#N)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H29FN4O2/c1-17(28-23(31)18-8-10-19(11-9-18)25(2,3)4)24(32)30-14-12-29(13-15-30)22-7-5-6-21(26)20(22)16-27/h5-11,17H,12-15H2,1-4H3,(H,28,31)