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

Systemtic Name: 4-[5-(1-adamantyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indol-3-yl]butylamine Formula: C30H38N2O MolecularWeight: 442.63552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

CC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

InChI=1S/C30H38N2O/c1-19-6-5-8-25(29(19)33-2)28-24(7-3-4-11-31)26-15-23(9-10-27(26)32-28)30-16-20-12-21(17-30)14-22(13-20)18-30/h5-6,8-10,15,20-22,32H,3-4,7,11-14,16-18,31H2,1-2H3