(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(3,5-dimethylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(3,5-dimethylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(3,5-dimethyl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-(3,5-dimethyl-1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(3,5-dimethylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(3,5-dimethylpiperidino)prop-2-en-1-one Formula: C21H27N3O MolecularWeight: 337.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H27N3O/c1-15-12-16(2)14-23(13-15)21(25)11-10-20-17(3)22-24(18(20)4)19-8-6-5-7-9-19/h5-11,15-16H,12-14H2,1-4H3/b11-10+