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

Systemtic Name: N-tert-butyl-3-[[4-[3-fluoranyl-4-(3-methylbutylcarbamoylamino)phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[3-fluoro-4-(isopentylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[3-fluoro-4-[[(3-methylbutylamino)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[3-fluoro-4-(3-methylbutylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[3-fluoro-4-(isoamylcarbamoylamino)benzoyl]piperazino]methyl]benzamide Formula: C29H40FN5O3 MolecularWeight: 525.658003

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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(=C3)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(=C3)C(=O)NC(C)(C)C)F

InChI

InChI=1S/C29H40FN5O3/c1-20(2)11-12-31-28(38)32-25-10-9-23(18-24(25)30)27(37)35-15-13-34(14-16-35)19-21-7-6-8-22(17-21)26(36)33-29(3,4)5/h6-10,17-18,20H,11-16,19H2,1-5H3,(H,33,36)(H2,31,32,38)