5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(phenylmethyl)benzamide

Systemtic Name: 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-5-(2-ethylhexanoylamino)-2-(4-methyl-1-piperidyl)benzamide CAS Name: 5-[(2-ethyl-1-oxohexyl)amino]-2-(4-methyl-1-piperidinyl)-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide Traditional Name: N-benzyl-5-(2-ethylhexanoylamino)-2-(4-methylpiperidino)benzamide Formula: C28H39N3O2 MolecularWeight: 449.62816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC(CC2)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC(CC2)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C28H39N3O2/c1-4-6-12-23(5-2)27(32)30-24-13-14-26(31-17-15-21(3)16-18-31)25(19-24)28(33)29-20-22-10-8-7-9-11-22/h7-11,13-14,19,21,23H,4-6,12,15-18,20H2,1-3H3,(H,29,33)(H,30,32)