3-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-6-chloranyl-1-(2-methylpropyl)quinoxalin-2-one

Systemtic Name: 3-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-6-chloranyl-1-(2-methylpropyl)quinoxalin-2-one Openeye Name: 3-[3-(azepan-1-yl)-3-oxo-propyl]-6-chloro-1-isobutyl-quinoxalin-2-one CAS Name: 3-[3-(1-azepanyl)-3-oxopropyl]-6-chloro-1-(2-methylpropyl)-2-quinoxalinone IUPAC Name: 3-[3-(azepan-1-yl)-3-oxopropyl]-6-chloro-1-(2-methylpropyl)quinoxalin-2-one Traditional Name: 3-[3-(azepan-1-yl)-3-keto-propyl]-6-chloro-1-isobutyl-quinoxalin-2-one Formula: C21H28ClN3O2 MolecularWeight: 389.91892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)Cl)N=C(C1=O)CCC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)Cl)N=C(C1=O)CCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H28ClN3O2/c1-15(2)14-25-19-9-7-16(22)13-18(19)23-17(21(25)27)8-10-20(26)24-11-5-3-4-6-12-24/h7,9,13,15H,3-6,8,10-12,14H2,1-2H3