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

Systemtic Name: 4-[5-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]butylamine Formula: C29H34N2O2 MolecularWeight: 442.59246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C29H34N2O2/c30-8-2-1-3-23-24-13-22(29-14-18-9-19(15-29)11-20(10-18)16-29)5-6-25(24)31-28(23)21-4-7-26-27(12-21)33-17-32-26/h4-7,12-13,18-20,31H,1-3,8-11,14-17,30H2