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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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