N-cyclopropyl-N-[2-oxidanylidene-2-(pent-1-yn-3-ylamino)ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-cyclopropyl-N-[2-oxidanylidene-2-(pent-1-yn-3-ylamino)ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-cyclopropyl-N-[2-(1-ethylprop-2-ynylamino)-2-oxo-ethyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-cyclopropyl-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-cyclopropyl-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-cyclopropyl-N-[2-(1-ethylprop-2-ynylamino)-2-keto-ethyl]-1-(4-pyridyl)isonipecotamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)NC(=O)CN(C1CC1)C(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCC(C#C)NC(=O)CN(C1CC1)C(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H28N4O2/c1-3-17(4-2)23-20(26)15-25(19-5-6-19)21(27)16-9-13-24(14-10-16)18-7-11-22-12-8-18/h1,7-8,11-12,16-17,19H,4-6,9-10,13-15H2,2H3,(H,23,26)