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

Systemtic Name: 4-[5-(1-adamantyl)-2-(3-chloranylpyridin-4-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(3-chloro-4-pyridyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(3-chloropyridin-4-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(3-chloro-4-pyridyl)-1H-indol-3-yl]butylamine Formula: C27H32ClN3 MolecularWeight: 434.01608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN3/c28-24-16-30-8-6-22(24)26-21(3-1-2-7-29)23-12-20(4-5-25(23)31-26)27-13-17-9-18(14-27)11-19(10-17)15-27/h4-6,8,12,16-19,31H,1-3,7,9-11,13-15,29H2