(7-chloranyl-1,3-benzodioxol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C16H15ClN4O3/c17-12-8-11(9-13-14(12)24-10-23-13)15(22)20-4-6-21(7-5-20)16-18-2-1-3-19-16/h1-3,8-9H,4-7,10H2