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

Systemtic Name: N-tert-butyl-3-[[4-[4-(2-cyclopropylethylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[4-(2-cyclopropylethylcarbamoylamino)-3-fluoro-benzoyl]piperazin-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[4-[[(2-cyclopropylethylamino)-oxomethyl]amino]-3-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[4-(2-cyclopropylethylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[4-(2-cyclopropylethylcarbamoylamino)-3-fluoro-benzoyl]piperazino]methyl]benzamide Formula: C29H38FN5O3 MolecularWeight: 523.642123

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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)NCCC4CC4)F

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NCCC4CC4)F

InChI

InChI=1S/C29H38FN5O3/c1-29(2,3)33-26(36)22-6-4-5-21(17-22)19-34-13-15-35(16-14-34)27(37)23-9-10-25(24(30)18-23)32-28(38)31-12-11-20-7-8-20/h4-6,9-10,17-18,20H,7-8,11-16,19H2,1-3H3,(H,33,36)(H2,31,32,38)