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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)Cl

InChI

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