N-[(2R)-butan-2-yl]-3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-[(2R)-butan-2-yl]-3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluoro-benzoyl]piperazin-1-yl]methyl]-N-[(1R)-1-methylpropyl]benzamide CAS Name: N-[(2R)-butan-2-yl]-3-[[4-[[4-[[(2,2-dimethylpropylamino)-oxomethyl]amino]-3-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-[(2R)-butan-2-yl]-3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: 3-[[4-[3-fluoro-4-(neopentylcarbamoylamino)benzoyl]piperazino]methyl]-N-[(1R)-1-methylpropyl]benzamide Formula: C29H40FN5O3 MolecularWeight: 525.658003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NCC(C)(C)C)F

InChI

InChI=1S/C29H40FN5O3/c1-6-20(2)32-26(36)22-9-7-8-21(16-22)18-34-12-14-35(15-13-34)27(37)23-10-11-25(24(30)17-23)33-28(38)31-19-29(3,4)5/h7-11,16-17,20H,6,12-15,18-19H2,1-5H3,(H,32,36)(H2,31,33,38)/t20-/m1/s1