3-chloranyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[4-(3-ketopiperazino)benzyl]adamantane-1-carboxamide Formula: C22H28ClN3O2 MolecularWeight: 401.92962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H28ClN3O2/c23-22-10-16-7-17(11-22)9-21(8-16,14-22)20(28)25-12-15-1-3-18(4-2-15)26-6-5-24-19(27)13-26/h1-4,16-17H,5-14H2,(H,24,27)(H,25,28)