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

Systemtic Name: N-tert-butyl-3-[[4-[4-(butylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[4-(butylcarbamoylamino)-3-fluoro-benzoyl]piperazin-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[4-[[butylamino(oxo)methyl]amino]-3-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[4-(butylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[4-(butylcarbamoylamino)-3-fluoro-benzoyl]piperazino]methyl]benzamide Formula: C28H38FN5O3 MolecularWeight: 511.631423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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