1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]ethanone Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-1-(4-piperonylpiperazino)ethanone Formula: C27H33N5O3 MolecularWeight: 475.58262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H33N5O3/c1-20-24(21(2)32(28-20)23-7-5-4-6-8-23)17-29(3)18-27(33)31-13-11-30(12-14-31)16-22-9-10-25-26(15-22)35-19-34-25/h4-10,15H,11-14,16-19H2,1-3H3