2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(1,4-diazepan-1-yl)quinoxaline

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(1,4-diazepan-1-yl)quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(1,4-diazepan-1-yl)quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-(1,4-diazepan-1-yl)quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(1,4-diazepan-1-yl)quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(1,4-diazepan-1-yl)quinoxaline Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCCNCC4

InChI

InChI=1S/C21H23BrN4OS/c1-27-19-8-7-16(22)13-15(19)14-28-21-20(26-11-4-9-23-10-12-26)24-17-5-2-3-6-18(17)25-21/h2-3,5-8,13,23H,4,9-12,14H2,1H3