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

Systemtic Name: N-cyclopropyl-N-[2-(hex-4-yn-3-ylamino)-2-oxidanylidene-ethyl]-1-pyridin-4-yl-piperidine-3-carboxamide Openeye Name: N-cyclopropyl-N-[2-(1-ethylbut-2-ynylamino)-2-oxo-ethyl]-1-(4-pyridyl)piperidine-3-carboxamide CAS Name: N-cyclopropyl-N-[2-(hex-4-yn-3-ylamino)-2-oxoethyl]-1-pyridin-4-yl-3-piperidinecarboxamide IUPAC Name: N-cyclopropyl-N-[2-(hex-4-yn-3-ylamino)-2-oxoethyl]-1-pyridin-4-ylpiperidine-3-carboxamide Traditional Name: N-cyclopropyl-N-[2-(1-ethylbut-2-ynylamino)-2-keto-ethyl]-1-(4-pyridyl)nipecotamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)NC(=O)CN(C1CC1)C(=O)C2CCCN(C2)C3=CC=NC=C3

Isomeric SMILES

CCC(C#CC)NC(=O)CN(C1CC1)C(=O)C2CCCN(C2)C3=CC=NC=C3

InChI

InChI=1S/C22H30N4O2/c1-3-6-18(4-2)24-21(27)16-26(20-8-9-20)22(28)17-7-5-14-25(15-17)19-10-12-23-13-11-19/h10-13,17-18,20H,4-5,7-9,14-16H2,1-2H3,(H,24,27)