5-(2-ethylhexanoylamino)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-(2-ethylhexanoylamino)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-(2-ethylhexanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[(2-ethyl-1-oxohexyl)amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-(2-ethylhexanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-(2-ethylhexanoylamino)-N-(3-pyridylmethyl)benzamide Formula: C33H42N4O2 MolecularWeight: 526.71218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C33H42N4O2/c1-3-5-13-28(4-2)32(38)36-29-14-15-31(30(22-29)33(39)35-24-27-12-9-18-34-23-27)37-19-16-26(17-20-37)21-25-10-7-6-8-11-25/h6-12,14-15,18,22-23,26,28H,3-5,13,16-17,19-21,24H2,1-2H3,(H,35,39)(H,36,38)