(E)-1-(2-methylpiperidin-1-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(2-methylpiperidin-1-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(2-methyl-1-piperidyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(2-methyl-1-piperidinyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(2-methylpiperidin-1-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(2-methylpiperidino)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-17-8-5-6-14-24(17)21(26)13-12-18-16-25(19-9-3-2-4-10-19)23-22(18)20-11-7-15-27-20/h2-4,7,9-13,15-17H,5-6,8,14H2,1H3/b13-12+