2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-chlorobenzyl)-6-methyl-2-(4-piperonylpiperazino)-1H-pyrimidin-4-one Formula: C24H25ClN4O3 MolecularWeight: 452.9333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H25ClN4O3/c1-16-19(13-18-4-2-3-5-20(18)25)23(30)27-24(26-16)29-10-8-28(9-11-29)14-17-6-7-21-22(12-17)32-15-31-21/h2-7,12H,8-11,13-15H2,1H3,(H,26,27,30)