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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-6-pyrrolidino-pyrimidin-2-yl)piperazino]methanone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)N5CCCC5

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)N5CCCC5

InChI

InChI=1S/C21H25N5O3/c1-15-12-19(24-6-2-3-7-24)23-21(22-15)26-10-8-25(9-11-26)20(27)16-4-5-17-18(13-16)29-14-28-17/h4-5,12-13H,2-3,6-11,14H2,1H3