N-(5-ethyl-6-methyl-2-oxidanylidene-1H-pyridin-3-yl)-N-methyl-4-[3-(prop-2-ynylamino)pyridin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(5-ethyl-6-methyl-2-oxidanylidene-1H-pyridin-3-yl)-N-methyl-4-[3-(prop-2-ynylamino)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-methyl-4-[3-(prop-2-ynylamino)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-methyl-4-[3-(prop-2-ynylamino)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-methyl-4-[3-(prop-2-ynylamino)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-(5-ethyl-2-keto-6-methyl-1H-pyridin-3-yl)-N-methyl-4-[3-(propargylamino)-2-pyridyl]piperazine-1-carboxamide Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=C1)N(C)C(=O)N2CCN(CC2)C3=C(C=CC=N3)NCC#C)C

Isomeric SMILES

CCC1=C(NC(=O)C(=C1)N(C)C(=O)N2CCN(CC2)C3=C(C=CC=N3)NCC#C)C

InChI

InChI=1S/C22H28N6O2/c1-5-9-23-18-8-7-10-24-20(18)27-11-13-28(14-12-27)22(30)26(4)19-15-17(6-2)16(3)25-21(19)29/h1,7-8,10,15,23H,6,9,11-14H2,2-4H3,(H,25,29)