1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-nitropyrazol-1-yl)butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 4-(4-nitropyrazol-1-yl)-1-(4-piperonylpiperazino)butan-1-one Formula: C19H23N5O5 MolecularWeight: 401.41642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O5/c25-19(2-1-5-23-13-16(11-20-23)24(26)27)22-8-6-21(7-9-22)12-15-3-4-17-18(10-15)29-14-28-17/h3-4,10-11,13H,1-2,5-9,12,14H2