2-butanoyl-5,5-dimethyl-3-(pyridin-4-ylamino)cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-5,5-dimethyl-3-(pyridin-4-ylamino)cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5,5-dimethyl-3-(4-pyridylamino)cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-2-(1-oxobutyl)-3-(pyridin-4-ylamino)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5,5-dimethyl-3-(pyridin-4-ylamino)cyclohex-2-en-1-one Traditional Name: 2-butyryl-5,5-dimethyl-3-(4-pyridylamino)cyclohex-2-en-1-one Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=NC=C2

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=NC=C2

InChI

InChI=1S/C17H22N2O2/c1-4-5-14(20)16-13(10-17(2,3)11-15(16)21)19-12-6-8-18-9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,18,19)