2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(4-pyridylmethyl)piperazin-1-yl]isoindolin-1-one CAS Name: 2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 2-(4-chlorobenzyl)-7-methyl-5-[4-(4-pyridylmethyl)piperazino]isoindolin-1-one Formula: C26H27ClN4O MolecularWeight: 446.97178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)N3CCN(CC3)CC4=CC=NC=C4)CN(C2=O)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C2C(=CC(=C1)N3CCN(CC3)CC4=CC=NC=C4)CN(C2=O)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN4O/c1-19-14-24(30-12-10-29(11-13-30)16-21-6-8-28-9-7-21)15-22-18-31(26(32)25(19)22)17-20-2-4-23(27)5-3-20/h2-9,14-15H,10-13,16-18H2,1H3