N-[2-(1-adamantyl)-2-oxidanyl-ethyl]-4-chloranyl-1-pyrimidin-2-yl-indole-3-carboxamide

Systemtic Name: N-[2-(1-adamantyl)-2-oxidanyl-ethyl]-4-chloranyl-1-pyrimidin-2-yl-indole-3-carboxamide Openeye Name: N-[2-(1-adamantyl)-2-hydroxy-ethyl]-4-chloro-1-pyrimidin-2-yl-indole-3-carboxamide CAS Name: N-[2-(1-adamantyl)-2-hydroxyethyl]-4-chloro-1-(2-pyrimidinyl)-3-indolecarboxamide IUPAC Name: N-[2-(1-adamantyl)-2-hydroxyethyl]-4-chloro-1-pyrimidin-2-ylindole-3-carboxamide Traditional Name: N-[2-(1-adamantyl)-2-hydroxy-ethyl]-4-chloro-1-(2-pyrimidyl)indole-3-carboxamide Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(CNC(=O)C4=CN(C5=C4C(=CC=C5)Cl)C6=NC=CC=N6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(CNC(=O)C4=CN(C5=C4C(=CC=C5)Cl)C6=NC=CC=N6)O

InChI

InChI=1S/C25H27ClN4O2/c26-19-3-1-4-20-22(19)18(14-30(20)24-27-5-2-6-28-24)23(32)29-13-21(31)25-10-15-7-16(11-25)9-17(8-15)12-25/h1-6,14-17,21,31H,7-13H2,(H,29,32)