(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-[4-(2-thenoyl)piperazino]prop-2-en-1-one Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC=CS3)Cl)CC(C)C

InChI

InChI=1S/C20H25ClN4O2S/c1-14(2)13-25-19(21)16(15(3)22-25)6-7-18(26)23-8-10-24(11-9-23)20(27)17-5-4-12-28-17/h4-7,12,14H,8-11,13H2,1-3H3/b7-6+