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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-piperidin-1-ylpiperidin-1-yl)quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-[4-(1-piperidyl)-1-piperidyl]quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-[4-(1-piperidinyl)-1-piperidinyl]quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(4-piperidin-1-ylpiperidin-1-yl)quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(4-piperidinopiperidino)quinoxaline Formula: C26H31BrN4OS MolecularWeight: 527.51954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCC(CC4)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C26H31BrN4OS/c1-32-24-10-9-20(27)17-19(24)18-33-26-25(28-22-7-3-4-8-23(22)29-26)31-15-11-21(12-16-31)30-13-5-2-6-14-30/h3-4,7-10,17,21H,2,5-6,11-16,18H2,1H3