N-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[4-(5-bromo-2-pyridyl)piperazino]-3-keto-propyl]adamantane-1-carboxamide Formula: C23H31BrN4O2 MolecularWeight: 475.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrN4O2/c24-19-1-2-20(26-15-19)27-5-7-28(8-6-27)21(29)3-4-25-22(30)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-2,15-18H,3-14H2,(H,25,30)