[4-[5-(1,3-benzodioxol-5-yl)-1-ethyl-pyrazol-3-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[5-(1,3-benzodioxol-5-yl)-1-ethyl-pyrazol-3-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[5-(1,3-benzodioxol-5-yl)-1-ethyl-pyrazole-3-carbonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[5-(1,3-benzodioxol-5-yl)-1-ethyl-3-pyrazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[5-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[5-(1,3-benzodioxol-5-yl)-1-ethyl-pyrazole-3-carbonyl]piperazino]-(2-furyl)methanone Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C(=CC(=N1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O5/c1-2-26-17(15-5-6-18-20(12-15)31-14-30-18)13-16(23-26)21(27)24-7-9-25(10-8-24)22(28)19-4-3-11-29-19/h3-6,11-13H,2,7-10,14H2,1H3