3-[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(3,4-dimethylphenyl)methyl]-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(3R)-1-[(3,4-dimethylphenyl)methyl]-3-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3,4-dimethylbenzyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C26H36N4O MolecularWeight: 420.59024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C26H36N4O/c1-21-8-9-24(18-22(21)2)20-28-13-5-6-23(19-28)10-11-26(31)30-16-14-29(15-17-30)25-7-3-4-12-27-25/h3-4,7-9,12,18,23H,5-6,10-11,13-17,19-20H2,1-2H3/t23-/m1/s1