4-[5-(1-adamantyl)-2-(2,4,6-trimethylphenyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-(1-adamantyl)-2-(2,4,6-trimethylphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2,4,6-trimethylphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2,4,6-trimethylphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(2,4,6-trimethylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-mesityl-1H-indol-3-yl]butylamine Formula: C31H40N2 MolecularWeight: 440.6627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2/c1-19-10-20(2)29(21(3)11-19)30-26(6-4-5-9-32)27-15-25(7-8-28(27)33-30)31-16-22-12-23(17-31)14-24(13-22)18-31/h7-8,10-11,15,22-24,33H,4-6,9,12-14,16-18,32H2,1-3H3