1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[1-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-2-phenylethyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-2-phenylethyl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidino]-2-(phenylthio)ethanone Formula: C28H36N4OS MolecularWeight: 476.67664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1CN(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4)C

InChI

InChI=1S/C28H36N4OS/c1-22-25(20-31(3)29-22)19-30(2)27(18-23-10-6-4-7-11-23)24-14-16-32(17-15-24)28(33)21-34-26-12-8-5-9-13-26/h4-13,20,24,27H,14-19,21H2,1-3H3