3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-one CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-one Formula: C27H33N3O2 MolecularWeight: 431.56982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c1-20-26(21(2)30(28-20)24-10-7-11-25(19-24)32-3)12-13-27(31)29-16-14-23(15-17-29)18-22-8-5-4-6-9-22/h4-11,19,23H,12-18H2,1-3H3