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

Systemtic Name: N-tert-butyl-3-[[4-[4-(cyclobutylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[4-(cyclobutylcarbamoylamino)-3-fluoro-benzoyl]piperazin-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[4-[[(cyclobutylamino)-oxomethyl]amino]-3-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[4-(cyclobutylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[4-(cyclobutylcarbamoylamino)-3-fluoro-benzoyl]piperazino]methyl]benzamide Formula: C28H36FN5O3 MolecularWeight: 509.615543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NC4CCC4)F

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NC4CCC4)F

InChI

InChI=1S/C28H36FN5O3/c1-28(2,3)32-25(35)20-7-4-6-19(16-20)18-33-12-14-34(15-13-33)26(36)21-10-11-24(23(29)17-21)31-27(37)30-22-8-5-9-22/h4,6-7,10-11,16-17,22H,5,8-9,12-15,18H2,1-3H3,(H,32,35)(H2,30,31,37)