(3S)-6-oxidanylidene-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-6-oxidanylidene-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-6-oxo-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-1-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-pyridylmethyl)nipecotamide Formula: C23H25N5O2 MolecularWeight: 403.4769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H25N5O2/c29-22-10-9-19(16-27(22)17-20-6-4-5-12-24-20)23(30)25-13-11-18-14-26-28(15-18)21-7-2-1-3-8-21/h1-8,12,14-15,19H,9-11,13,16-17H2,(H,25,30)/t19-/m0/s1