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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(4-pyrrolidin-1-yl-1-piperidyl)quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-[4-(1-pyrrolidinyl)-1-piperidinyl]quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(4-pyrrolidinopiperidino)quinoxaline Formula: C25H29BrN4OS MolecularWeight: 513.49296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCC(CC4)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCC(CC4)N5CCCC5

InChI

InChI=1S/C25H29BrN4OS/c1-31-23-9-8-19(26)16-18(23)17-32-25-24(27-21-6-2-3-7-22(21)28-25)30-14-10-20(11-15-30)29-12-4-5-13-29/h2-3,6-9,16,20H,4-5,10-15,17H2,1H3