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

Systemtic Name: N-tert-butyl-6-[[4-[3-fluoranyl-4-(3-methylbutylcarbamoylamino)phenyl]carbonylpiperazin-1-yl]methyl]pyridine-2-carboxamide Openeye Name: N-tert-butyl-6-[[4-[3-fluoro-4-(isopentylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]pyridine-2-carboxamide CAS Name: N-tert-butyl-6-[[4-[[3-fluoro-4-[[(3-methylbutylamino)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinyl]methyl]-2-pyridinecarboxamide IUPAC Name: N-tert-butyl-6-[[4-[3-fluoro-4-(3-methylbutylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]pyridine-2-carboxamide Traditional Name: N-tert-butyl-6-[[4-[3-fluoro-4-(isoamylcarbamoylamino)benzoyl]piperazino]methyl]picolinamide Formula: C28H39FN6O3 MolecularWeight: 526.646063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC(=N3)C(=O)NC(C)(C)C)F

Isomeric SMILES

CC(C)CCNC(=O)NC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC(=N3)C(=O)NC(C)(C)C)F

InChI

InChI=1S/C28H39FN6O3/c1-19(2)11-12-30-27(38)32-23-10-9-20(17-22(23)29)26(37)35-15-13-34(14-16-35)18-21-7-6-8-24(31-21)25(36)33-28(3,4)5/h6-10,17,19H,11-16,18H2,1-5H3,(H,33,36)(H2,30,32,38)