1-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-6-fluoranyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Systemtic Name: 1-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-6-fluoranyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Openeye Name: 1-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole CAS Name: 1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole IUPAC Name: 1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Traditional Name: 1-(4-benzoxy-2-bromo-5-methoxy-phenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-$b-carboline Formula: C25H22BrFN2O2 MolecularWeight: 481.356783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)F)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C(=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)F)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C25H22BrFN2O2/c1-30-22-12-19(20(26)13-23(22)31-14-15-5-3-2-4-6-15)24-25-17(9-10-28-24)18-11-16(27)7-8-21(18)29-25/h2-8,11-13,24,28-29H,9-10,14H2,1H3