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

Systemtic Name: 4-[5-(1-adamantyl)-2-(4-butoxyphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(4-butoxyphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(4-butoxyphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(4-butoxyphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(4-butoxyphenyl)-1H-indol-3-yl]butylamine Formula: C32H42N2O MolecularWeight: 470.68868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

InChI=1S/C32H42N2O/c1-2-3-14-35-27-10-7-25(8-11-27)31-28(6-4-5-13-33)29-18-26(9-12-30(29)34-31)32-19-22-15-23(20-32)17-24(16-22)21-32/h7-12,18,22-24,34H,2-6,13-17,19-21,33H2,1H3