(E)-1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[2-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[2-(1,3-benzothiazol-2-yl)piperidino]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4OS/c1-22-13-14(12-20-22)9-10-18(24)23-11-5-4-7-16(23)19-21-15-6-2-3-8-17(15)25-19/h2-3,6,8-10,12-13,16H,4-5,7,11H2,1H3/b10-9+