3-(4-azanylbutyl)-2-(5-bromanyl-2-methoxy-phenyl)-1H-indole-5-carbonitrile

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanyl-2-methoxy-phenyl)-1H-indole-5-carbonitrile Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-1H-indole-5-carbonitrile CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-1H-indole-5-carbonitrile IUPAC Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-1H-indole-5-carbonitrile Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-1H-indole-5-carbonitrile Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)C#N)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)C#N)CCCCN

InChI

InChI=1S/C20H20BrN3O/c1-25-19-8-6-14(21)11-17(19)20-15(4-2-3-9-22)16-10-13(12-23)5-7-18(16)24-20/h5-8,10-11,24H,2-4,9,22H2,1H3