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

Systemtic Name: 4-[5-(1-adamantyl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]butylamine Formula: C30H38N2 MolecularWeight: 426.63612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN)C

InChI

InChI=1S/C30H38N2/c1-19-9-20(2)11-24(10-19)29-26(5-3-4-8-31)27-15-25(6-7-28(27)32-29)30-16-21-12-22(17-30)14-23(13-21)18-30/h6-7,9-11,15,21-23,32H,3-5,8,12-14,16-18,31H2,1-2H3