1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]methanone Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c1-17-21(14-19-6-4-3-5-7-19)24(27-18(2)26-17)28-10-12-29(13-11-28)25(30)20-8-9-22-23(15-20)32-16-31-22/h3-9,15H,10-14,16H2,1-2H3