N-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(5-bromo-2-pyridyl)piperazino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C22H29BrN4O2 MolecularWeight: 461.39526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29BrN4O2/c23-18-1-2-19(24-13-18)26-3-5-27(6-4-26)20(28)14-25-21(29)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-2,13,15-17H,3-12,14H2,(H,25,29)