4-(dimethylamino)-1-[4-[4-(2,6-diphenylpyridin-4-yl)carbonylpiperazin-1-yl]piperidin-1-yl]butan-1-one

Systemtic Name: 4-(dimethylamino)-1-[4-[4-(2,6-diphenylpyridin-4-yl)carbonylpiperazin-1-yl]piperidin-1-yl]butan-1-one Openeye Name: 4-(dimethylamino)-1-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]-1-piperidyl]butan-1-one CAS Name: 4-(dimethylamino)-1-[4-[4-[(2,6-diphenyl-4-pyridinyl)-oxomethyl]-1-piperazinyl]-1-piperidinyl]-1-butanone IUPAC Name: 4-(dimethylamino)-1-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]butan-1-one Traditional Name: 4-(dimethylamino)-1-[4-[4-(2,6-diphenylisonicotinoyl)piperazino]piperidino]butan-1-one Formula: C33H41N5O2 MolecularWeight: 539.71094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)N1CCC(CC1)N2CCN(CC2)C(=O)C3=CC(=NC(=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)CCCC(=O)N1CCC(CC1)N2CCN(CC2)C(=O)C3=CC(=NC(=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H41N5O2/c1-35(2)17-9-14-32(39)37-18-15-29(16-19-37)36-20-22-38(23-21-36)33(40)28-24-30(26-10-5-3-6-11-26)34-31(25-28)27-12-7-4-8-13-27/h3-8,10-13,24-25,29H,9,14-23H2,1-2H3