1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C27H33N3O3 MolecularWeight: 447.56922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H33N3O3/c1-32-25-16-22(17-26(18-25)33-2)9-8-21-12-14-29(15-13-21)27(31)11-10-23-19-28-30(20-23)24-6-4-3-5-7-24/h3-7,16-21H,8-15H2,1-2H3