4-[5,7-bis(chloranyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5,7-bis(chloranyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5,7-dichloro-2-(8-methoxy-5-quinolyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5,7-dichloro-2-(8-methoxy-5-quinolinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5,7-dichloro-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5,7-dichloro-2-(8-methoxy-5-quinolyl)-1H-indol-3-yl]butylamine Formula: C22H21Cl2N3O MolecularWeight: 414.32764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=C(C4=CC(=CC(=C4N3)Cl)Cl)CCCCN)C=CC=N2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=C(C4=CC(=CC(=C4N3)Cl)Cl)CCCCN)C=CC=N2

InChI

InChI=1S/C22H21Cl2N3O/c1-28-19-8-7-16(14-6-4-10-26-22(14)19)20-15(5-2-3-9-25)17-11-13(23)12-18(24)21(17)27-20/h4,6-8,10-12,27H,2-3,5,9,25H2,1H3