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

Systemtic Name: 4-[5-(1-adamantyl)-2-(5-chloranylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(5-chloro-2-thienyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(5-chloro-2-thiophenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(5-chloro-2-thienyl)-1H-indol-3-yl]butylamine Formula: C26H31ClN2S MolecularWeight: 439.05574

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC=C(S6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC=C(S6)Cl

InChI

InChI=1S/C26H31ClN2S/c27-24-7-6-23(30-24)25-20(3-1-2-8-28)21-12-19(4-5-22(21)29-25)26-13-16-9-17(14-26)11-18(10-16)15-26/h4-7,12,16-18,29H,1-3,8-11,13-15,28H2