N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-5-nitro-1H-indazol-3-amine

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-5-nitro-1H-indazol-3-amine Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidyl]-5-nitro-1H-indazol-3-amine CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidinyl]-5-nitro-1H-indazol-3-amine IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-5-nitro-1H-indazol-3-amine Traditional Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidyl]-(5-nitro-1H-indazol-3-yl)amine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NNC3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1NC2=NNC3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H23N5O4/c27-26(28)16-2-3-18-17(12-16)21(24-23-18)22-15-5-7-25(8-6-15)13-14-1-4-19-20(11-14)30-10-9-29-19/h1-4,11-12,15H,5-10,13H2,(H2,22,23,24)