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

Systemtic Name: N-tert-butyl-3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluoro-benzoyl]piperazin-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[4-[[(2,2-dimethylpropylamino)-oxomethyl]amino]-3-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[3-fluoro-4-(neopentylcarbamoylamino)benzoyl]piperazino]methyl]benzamide Formula: C29H40FN5O3 MolecularWeight: 525.658003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C29H40FN5O3/c1-28(2,3)19-31-27(38)32-24-11-10-22(17-23(24)30)26(37)35-14-12-34(13-15-35)18-20-8-7-9-21(16-20)25(36)33-29(4,5)6/h7-11,16-17H,12-15,18-19H2,1-6H3,(H,33,36)(H2,31,32,38)