N-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C24H31ClFN3O2 MolecularWeight: 447.973243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31ClFN3O2/c25-20-2-1-3-21(26)19(20)15-28-4-6-29(7-5-28)22(30)14-27-23(31)24-11-16-8-17(12-24)10-18(9-16)13-24/h1-3,16-18H,4-15H2,(H,27,31)