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

Systemtic Name: 4-[5-(1-adamantyl)-2-(8-ethoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(8-ethoxy-5-quinolyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(8-ethoxy-5-quinolinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(8-ethoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(8-ethoxy-5-quinolyl)-1H-indol-3-yl]butylamine Formula: C33H39N3O MolecularWeight: 493.68226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)C56CC7CC(C5)CC(C7)C6)CCCCN)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)C56CC7CC(C5)CC(C7)C6)CCCCN)C=CC=N2

InChI

InChI=1S/C33H39N3O/c1-2-37-30-11-9-27(25-7-5-13-35-32(25)30)31-26(6-3-4-12-34)28-17-24(8-10-29(28)36-31)33-18-21-14-22(19-33)16-23(15-21)20-33/h5,7-11,13,17,21-23,36H,2-4,6,12,14-16,18-20,34H2,1H3