3,4-dihydro-1H-isoquinolin-2-yl-[1-[1-(4-hexylphenyl)carbonylpiperidin-4-yl]piperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[1-(4-hexylphenyl)carbonylpiperidin-4-yl]piperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[1-(4-hexylbenzoyl)-4-piperidyl]-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[1-[(4-hexylphenyl)-oxomethyl]-4-piperidinyl]-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[1-(4-hexylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[1-(4-hexylbenzoyl)-4-piperidyl]-4-piperidyl]methanone Formula: C33H45N3O2 MolecularWeight: 515.7293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C33H45N3O2/c1-2-3-4-5-8-26-11-13-28(14-12-26)32(37)35-23-18-31(19-24-35)34-20-16-29(17-21-34)33(38)36-22-15-27-9-6-7-10-30(27)25-36/h6-7,9-14,29,31H,2-5,8,15-25H2,1H3