2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: 2-methyl-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: 2-methyl-N-[3-[4-(2-pyrimidyl)piperazino]propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O3/c1-16-19(29-18-7-3-2-6-17(18)28-16)20(27)22-10-5-11-25-12-14-26(15-13-25)21-23-8-4-9-24-21/h2-4,6-9,16,19H,5,10-15H2,1H3,(H,22,27)