(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-piperidin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-piperidino-prop-2-en-1-one Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H27N3O3/c1-30-22-13-11-19(17-23(22)31-2)25-20(12-14-24(29)27-15-7-4-8-16-27)18-28(26-25)21-9-5-3-6-10-21/h3,5-6,9-14,17-18H,4,7-8,15-16H2,1-2H3/b14-12+