3-methyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)but-2-en-1-one

Systemtic Name: 3-methyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)but-2-en-1-one Openeye Name: 3-methyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)but-2-en-1-one CAS Name: 3-methyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-buten-1-one IUPAC Name: 3-methyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)but-2-en-1-one Traditional Name: 3-methyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)but-2-en-1-one Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCN(C2=NC3=CC=CC=C3N=C21)C)C

Isomeric SMILES

CC(=CC(=O)N1CCCN(C2=NC3=CC=CC=C3N=C21)C)C

InChI

InChI=1S/C17H20N4O/c1-12(2)11-15(22)21-10-6-9-20(3)16-17(21)19-14-8-5-4-7-13(14)18-16/h4-5,7-8,11H,6,9-10H2,1-3H3