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

Systemtic Name: 4-[5-(1-adamantyl)-2-(3-chloranylpyridin-2-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(3-chloro-2-pyridyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(3-chloro-2-pyridinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(3-chloropyridin-2-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(3-chloro-2-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=CC=N6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=C(C=CC=N6)Cl

InChI

InChI=1S/C27H32ClN3/c28-23-5-3-9-30-26(23)25-21(4-1-2-8-29)22-13-20(6-7-24(22)31-25)27-14-17-10-18(15-27)12-19(11-17)16-27/h3,5-7,9,13,17-19,31H,1-2,4,8,10-12,14-16,29H2