5-(2-ethylhexanoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-(2-ethylhexanoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(2-ethylhexanoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[(2-ethyl-1-oxohexyl)amino]-N-[(4-fluorophenyl)methyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(2-ethylhexanoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(2-ethylhexanoylamino)-N-(4-fluorobenzyl)-2-pyrrolidino-benzamide Formula: C26H34FN3O2 MolecularWeight: 439.565463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O2/c1-3-5-8-20(4-2)25(31)29-22-13-14-24(30-15-6-7-16-30)23(17-22)26(32)28-18-19-9-11-21(27)12-10-19/h9-14,17,20H,3-8,15-16,18H2,1-2H3,(H,28,32)(H,29,31)