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

Systemtic Name: 4-[2-(8-ethoxyquinolin-5-yl)-5,7-bis(fluoranyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(8-ethoxy-5-quinolyl)-5,7-difluoro-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(8-ethoxy-5-quinolinyl)-5,7-difluoro-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(8-ethoxyquinolin-5-yl)-5,7-difluoro-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(8-ethoxy-5-quinolyl)-5,7-difluoro-1H-indol-3-yl]butylamine Formula: C23H23F2N3O MolecularWeight: 395.445026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)C3=C(C4=CC(=CC(=C4N3)F)F)CCCCN)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)C3=C(C4=CC(=CC(=C4N3)F)F)CCCCN)C=CC=N2

InChI

InChI=1S/C23H23F2N3O/c1-2-29-20-9-8-17(15-7-5-11-27-23(15)20)21-16(6-3-4-10-26)18-12-14(24)13-19(25)22(18)28-21/h5,7-9,11-13,28H,2-4,6,10,26H2,1H3