3,3-dimethyl-1-[2-(6-pyridin-3-ylhex-5-ynoyl)-1,2-diazinan-3-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[2-(6-pyridin-3-ylhex-5-ynoyl)-1,2-diazinan-3-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[2-[6-(3-pyridyl)hex-5-ynoyl]hexahydropyridazin-3-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-[1-oxo-6-(3-pyridinyl)hex-5-ynyl]-3-diazinanyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-(6-pyridin-3-ylhex-5-ynoyl)diazinan-3-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[2-[6-(3-pyridyl)hex-5-ynoyl]hexahydropyridazin-3-yl]pentane-1,2-dione Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)C1CCCNN1C(=O)CCCC#CC2=CN=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)C1CCCNN1C(=O)CCCC#CC2=CN=CC=C2

InChI

InChI=1S/C22H29N3O3/c1-4-22(2,3)21(28)20(27)18-12-9-15-24-25(18)19(26)13-7-5-6-10-17-11-8-14-23-16-17/h8,11,14,16,18,24H,4-5,7,9,12-13,15H2,1-3H3