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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(1-piperidyl)pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(1-piperidinyl)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-6-piperidino-pyrimidin-2-yl)piperazino]methanone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)N5CCCCC5

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)N5CCCCC5

InChI

InChI=1S/C22H27N5O3/c1-16-13-20(25-7-3-2-4-8-25)24-22(23-16)27-11-9-26(10-12-27)21(28)17-5-6-18-19(14-17)30-15-29-18/h5-6,13-14H,2-4,7-12,15H2,1H3