N-tert-butyl-3-[[4-[3-fluoranyl-4-(2-methylpropylcarbamoylamino)phenyl]carbonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-tert-butyl-3-[[4-[3-fluoranyl-4-(2-methylpropylcarbamoylamino)phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[3-fluoro-4-(isobutylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[3-fluoro-4-[[(2-methylpropylamino)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[3-fluoro-4-(2-methylpropylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[3-fluoro-4-(isobutylcarbamoylamino)benzoyl]piperazino]methyl]benzamide Formula: C28H38FN5O3 MolecularWeight: 511.631423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC(C)(C)C)F

Isomeric SMILES

CC(C)CNC(=O)NC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC(C)(C)C)F

InChI

InChI=1S/C28H38FN5O3/c1-19(2)17-30-27(37)31-24-10-9-22(16-23(24)29)26(36)34-13-11-33(12-14-34)18-20-7-6-8-21(15-20)25(35)32-28(3,4)5/h6-10,15-16,19H,11-14,17-18H2,1-5H3,(H,32,35)(H2,30,31,37)