3-chloranyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[3-[4-(4-fluorophenyl)piperazino]-3-keto-propyl]adamantane-1-carboxamide Formula: C24H31ClFN3O2 MolecularWeight: 447.973243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

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