3-methyl-1-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]butan-1-one Openeye Name: 1-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]-3-methyl-butan-1-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-18(2)15-22(29)26-10-12-27(13-11-26)24(30)20-17-28(16-19-7-4-3-5-8-19)25-23(20)21-9-6-14-31-21/h3-9,14,17-18H,10-13,15-16H2,1-2H3