3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(p-tolylmethyl)indol-3-yl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1-[(4-methylphenyl)methyl]-3-indolyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(4-methylbenzyl)indol-3-yl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C28H30N4O MolecularWeight: 438.564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H30N4O/c1-22-9-11-23(12-10-22)20-32-21-24(25-6-2-3-7-26(25)32)13-14-28(33)31-18-16-30(17-19-31)27-8-4-5-15-29-27/h2-12,15,21H,13-14,16-20H2,1H3