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Summary

Name:(1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:C22 H23 F N2 O3
Formal charge:0
Molecular weight:382.428 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
OpenEye OEToolkits2.0.6(1~{S})-1-[2-(6-fluoranyl-1~{H}-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-carbaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)F
InChIInChI1.03InChI=1S/C22H23FN2O3/c1-27-21-9-14-7-8-25(13-26)20(18(14)11-22(21)28-2)6-3-15-12-24-19-10-16(23)4-5-17(15)19/h4-5,9-13,20,24H,3,6-8H2,1-2H3/t20-/m0/s1
InChIKeyInChI1.03RBONXQJLLSKVHK-FQEVSTJZSA-N
SMILES_CANONICALCACTVS3.385COc1cc2CCN(C=O)[C@@H](CCc3c[nH]c4cc(F)ccc34)c2cc1OC
SMILESCACTVS3.385COc1cc2CCN(C=O)[CH](CCc3c[nH]c4cc(F)ccc34)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F
SMILESOpenEye OEToolkits2.0.6COc1cc2c(cc1OC)C(N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F