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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C20H25ClN4O2S/c1-3-4-9-25-19(21)16(15(2)22-25)7-8-18(26)23-10-12-24(13-11-23)20(27)17-6-5-14-28-17/h5-8,14H,3-4,9-13H2,1-2H3/b8-7+