N-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(4-chlorobenzyl)piperazino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H36ClN3O2 MolecularWeight: 458.03594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36ClN3O2/c27-23-5-3-19(4-6-23)18-29-8-10-30(11-9-29)24(31)2-1-7-28-25(32)26-15-20-12-21(16-26)14-22(13-20)17-26/h3-6,20-22H,1-2,7-18H2,(H,28,32)