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

Systemtic Name: [1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-4-phenyl-piperidin-4-yl]methanamine Openeye Name: [1-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-4-phenyl-4-piperidyl]methanamine CAS Name: [1-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-4-phenyl-4-piperidinyl]methanamine IUPAC Name: [1-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]-4-phenylpiperidin-4-yl]methanamine Traditional Name: [1-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]-4-phenyl-4-piperidyl]methylamine Formula: C28H29BrN4OS MolecularWeight: 549.52506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCC(CC4)(CN)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCC(CC4)(CN)C5=CC=CC=C5

InChI

InChI=1S/C28H29BrN4OS/c1-34-25-12-11-22(29)17-20(25)18-35-27-26(31-23-9-5-6-10-24(23)32-27)33-15-13-28(19-30,14-16-33)21-7-3-2-4-8-21/h2-12,17H,13-16,18-19,30H2,1H3