4-[5-bromanyl-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-bromanyl-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-bromo-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-bromo-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-bromo-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-bromo-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]butylamine Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Br)CCCCN)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Br)CCCCN)OCC

InChI

InChI=1S/C22H27BrN2O2/c1-3-26-20-11-8-15(13-21(20)27-4-2)22-17(7-5-6-12-24)18-14-16(23)9-10-19(18)25-22/h8-11,13-14,25H,3-7,12,24H2,1-2H3