3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(2-thenoyl)piperazino]propan-1-one Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H30N4O2S/c1-15(2)14-25-17(4)18(16(3)22-25)7-8-20(26)23-9-11-24(12-10-23)21(27)19-6-5-13-28-19/h5-6,13,15H,7-12,14H2,1-4H3