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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromanyl-2-ethyl-pyrazol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromo-2-ethyl-pyrazol-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-bromo-2-ethyl-3-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromo-2-ethylpyrazol-3-yl)methanone Traditional Name: (4-bromo-2-ethyl-pyrazol-3-yl)-(4-piperonylpiperazino)methanone Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=C(C=N1)Br)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21BrN4O3/c1-2-23-17(14(19)10-20-23)18(24)22-7-5-21(6-8-22)11-13-3-4-15-16(9-13)26-12-25-15/h3-4,9-10H,2,5-8,11-12H2,1H3