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

Systemtic Name: 4-[5-(1-adamantyl)-2-(3-methylphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(m-tolyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(3-methylphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(3-methylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(m-tolyl)-1H-indol-3-yl]butylamine Formula: C29H36N2 MolecularWeight: 412.60954

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2/c1-19-5-4-6-23(11-19)28-25(7-2-3-10-30)26-15-24(8-9-27(26)31-28)29-16-20-12-21(17-29)14-22(13-20)18-29/h4-6,8-9,11,15,20-22,31H,2-3,7,10,12-14,16-18,30H2,1H3