4-methyl-2a-(3-methylbutyl)-1-pyridin-4-yl-1,2-dihydroazeto[1,2-a]quinoxalin-3-one

Systemtic Name: 4-methyl-2a-(3-methylbutyl)-1-pyridin-4-yl-1,2-dihydroazeto[1,2-a]quinoxalin-3-one Openeye Name: 2a-isopentyl-4-methyl-1-(4-pyridyl)-1,2-dihydroazeto[1,2-a]quinoxalin-3-one CAS Name: 4-methyl-2a-(3-methylbutyl)-1-pyridin-4-yl-1,2-dihydroazeto[1,2-a]quinoxalin-3-one IUPAC Name: 4-methyl-2a-(3-methylbutyl)-1-pyridin-4-yl-1,2-dihydroazeto[1,2-a]quinoxalin-3-one Traditional Name: 2a-isoamyl-4-methyl-1-(4-pyridyl)-1,2-dihydroazeto[1,2-a]quinoxalin-3-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC12CC(N1C3=CC=CC=C3N(C2=O)C)C4=CC=NC=C4

Isomeric SMILES

CC(C)CCC12CC(N1C3=CC=CC=C3N(C2=O)C)C4=CC=NC=C4

InChI

InChI=1S/C21H25N3O/c1-15(2)8-11-21-14-19(16-9-12-22-13-10-16)24(21)18-7-5-4-6-17(18)23(3)20(21)25/h4-7,9-10,12-13,15,19H,8,11,14H2,1-3H3