N-tert-butyl-6-[[4-[4-(cyclobutylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]pyridine-2-carboxamide

Systemtic Name: N-tert-butyl-6-[[4-[4-(cyclobutylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]pyridine-2-carboxamide Openeye Name: N-tert-butyl-6-[[4-[4-(cyclobutylcarbamoylamino)-3-fluoro-benzoyl]piperazin-1-yl]methyl]pyridine-2-carboxamide CAS Name: N-tert-butyl-6-[[4-[[4-[[(cyclobutylamino)-oxomethyl]amino]-3-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]-2-pyridinecarboxamide IUPAC Name: N-tert-butyl-6-[[4-[4-(cyclobutylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]pyridine-2-carboxamide Traditional Name: N-tert-butyl-6-[[4-[4-(cyclobutylcarbamoylamino)-3-fluoro-benzoyl]piperazino]methyl]picolinamide Formula: C27H35FN6O3 MolecularWeight: 510.603603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35FN6O3/c1-27(2,3)32-24(35)23-9-5-8-20(29-23)17-33-12-14-34(15-13-33)25(36)18-10-11-22(21(28)16-18)31-26(37)30-19-6-4-7-19/h5,8-11,16,19H,4,6-7,12-15,17H2,1-3H3,(H,32,35)(H2,30,31,37)