(E)-1-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[3-(4-chloro-2-methyl-benzoyl)piperidino]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C=CC3=CN(N=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)/C=C/C3=CN(N=C3)C

InChI

InChI=1S/C20H22ClN3O2/c1-14-10-17(21)6-7-18(14)20(26)16-4-3-9-24(13-16)19(25)8-5-15-11-22-23(2)12-15/h5-8,10-12,16H,3-4,9,13H2,1-2H3/b8-5+