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

Systemtic Name: 4-[4,7-bis(chloranyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4,7-dichloro-2-(8-methoxy-5-quinolyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4,7-dichloro-2-(8-methoxy-5-quinolinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4,7-dichloro-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4,7-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=C(C=CC(=C4N3)Cl)Cl)CCCCN)C=CC=N2

Isomeric SMILES

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

InChI

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