(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCC5

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCC5

InChI

InChI=1S/C22H27N5O3/c1-16-21(30-18-7-3-2-6-17(18)29-16)22(28)27-12-10-26(11-13-27)20-14-19(23-15-24-20)25-8-4-5-9-25/h2-3,6-7,14-16,21H,4-5,8-13H2,1H3