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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(6-nitro-1-indazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(6-nitroindazol-1-yl)methyl]piperazino]methanone Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H19N5O5/c26-20(14-2-4-18-19(9-14)30-13-29-18)23-7-5-22(6-8-23)12-24-17-10-16(25(27)28)3-1-15(17)11-21-24/h1-4,9-11H,5-8,12-13H2