[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloranylpyridin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloranylpyridin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-4-pyridyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-chloro-4-pyridinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloropyridin-4-yl)methanone Traditional Name: (2-chloro-4-pyridyl)-(4-piperonylpiperazino)methanone Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC=C4)Cl

InChI

InChI=1S/C18H18ClN3O3/c19-17-10-14(3-4-20-17)18(23)22-7-5-21(6-8-22)11-13-1-2-15-16(9-13)25-12-24-15/h1-4,9-10H,5-8,11-12H2