3,3-bis(2-methylphenyl)-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one

Systemtic Name: 3,3-bis(2-methylphenyl)-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one Openeye Name: 1-[4-[(4-methylpiperazin-1-yl)methyl]-1-piperidyl]-3,3-bis(o-tolyl)propan-1-one CAS Name: 3,3-bis(2-methylphenyl)-1-[4-[(4-methyl-1-piperazinyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3,3-bis(2-methylphenyl)-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one Traditional Name: 1-[4-[(4-methylpiperazino)methyl]piperidino]-3,3-bis(o-tolyl)propan-1-one Formula: C28H39N3O MolecularWeight: 433.62876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CCC(CC2)CN3CCN(CC3)C)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)N2CCC(CC2)CN3CCN(CC3)C)C4=CC=CC=C4C

InChI

InChI=1S/C28H39N3O/c1-22-8-4-6-10-25(22)27(26-11-7-5-9-23(26)2)20-28(32)31-14-12-24(13-15-31)21-30-18-16-29(3)17-19-30/h4-11,24,27H,12-21H2,1-3H3