N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: N-[(4-fluorophenyl)methyl]-2-(1-pyrrolidinyl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: N-(4-fluorobenzyl)-2-pyrrolidino-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)F)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)F)CC(C)(C)C

InChI

InChI=1S/C27H36FN3O2/c1-19(17-27(2,3)4)15-25(32)30-22-11-12-24(31-13-5-6-14-31)23(16-22)26(33)29-18-20-7-9-21(28)10-8-20/h7-12,16,19H,5-6,13-15,17-18H2,1-4H3,(H,29,33)(H,30,32)