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

Systemtic Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-4-thiophen-2-yl-butan-1-one Openeye Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-4-(2-thienyl)butan-1-one CAS Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-4-thiophen-2-yl-1-butanone IUPAC Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-4-thiophen-2-ylbutan-1-one Traditional Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-4-(2-thienyl)butan-1-one Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C2=NC3=CC=CC=C3N=C21)C(=O)CCCC4=CC=CS4

Isomeric SMILES

CN1CCCN(C2=NC3=CC=CC=C3N=C21)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C20H22N4OS/c1-23-12-6-13-24(18(25)11-4-7-15-8-5-14-26-15)20-19(23)21-16-9-2-3-10-17(16)22-20/h2-3,5,8-10,14H,4,6-7,11-13H2,1H3