4-[5-(1-adamantyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-(1-adamantyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(8-methoxy-5-quinolyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(8-methoxy-5-quinolinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(8-methoxy-5-quinolyl)-1H-indol-3-yl]butylamine Formula: C32H37N3O MolecularWeight: 479.65568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)C56CC7CC(C5)CC(C7)C6)CCCCN)C=CC=N2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)C56CC7CC(C5)CC(C7)C6)CCCCN)C=CC=N2

InChI

InChI=1S/C32H37N3O/c1-36-29-10-8-26(24-6-4-12-34-31(24)29)30-25(5-2-3-11-33)27-16-23(7-9-28(27)35-30)32-17-20-13-21(18-32)15-22(14-20)19-32/h4,6-10,12,16,20-22,35H,2-3,5,11,13-15,17-19,33H2,1H3