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

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(3-thienylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(3-thenyl)piperazino]propan-1-one Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C21H32N4OS/c1-16(2)13-25-18(4)20(17(3)22-25)5-6-21(26)24-10-8-23(9-11-24)14-19-7-12-27-15-19/h7,12,15-16H,5-6,8-11,13-14H2,1-4H3