N,2,5-trimethyl-N-[2-phenyl-1-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide

Systemtic Name: N,2,5-trimethyl-N-[2-phenyl-1-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide Openeye Name: N,2,5-trimethyl-N-[2-phenyl-1-[1-[2-(2-pyridylsulfanyl)acetyl]-4-piperidyl]ethyl]pyrazole-3-carboxamide CAS Name: N,2,5-trimethyl-N-[1-[1-[1-oxo-2-(2-pyridinylthio)ethyl]-4-piperidinyl]-2-phenylethyl]-3-pyrazolecarboxamide IUPAC Name: N,2,5-trimethyl-N-[2-phenyl-1-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide Traditional Name: N,2,5-trimethyl-N-[2-phenyl-1-[1-[2-(2-pyridylthio)acetyl]-4-piperidyl]ethyl]pyrazole-3-carboxamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=CC=CC=N4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=CC=CC=N4)C

InChI

InChI=1S/C27H33N5O2S/c1-20-17-24(31(3)29-20)27(34)30(2)23(18-21-9-5-4-6-10-21)22-12-15-32(16-13-22)26(33)19-35-25-11-7-8-14-28-25/h4-11,14,17,22-23H,12-13,15-16,18-19H2,1-3H3