(3S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-oxo-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-keto-1-[2-(2-pyridyl)ethyl]nipecotamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=NNC(=C1)CNC(=O)[C@H]2CCC(=O)N(C2)CCC3=CC=CC=N3

InChI

InChI=1S/C21H29N5O2/c1-21(2,3)18-12-17(24-25-18)13-23-20(28)15-7-8-19(27)26(14-15)11-9-16-6-4-5-10-22-16/h4-6,10,12,15H,7-9,11,13-14H2,1-3H3,(H,23,28)(H,24,25)/t15-/m0/s1