N-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzyl]adamantane-1-carboxamide Formula: C29H34ClN3O2 MolecularWeight: 492.05216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34ClN3O2/c30-25-2-1-3-26(15-25)32-8-10-33(11-9-32)27(34)24-6-4-20(5-7-24)19-31-28(35)29-16-21-12-22(17-29)14-23(13-21)18-29/h1-7,15,21-23H,8-14,16-19H2,(H,31,35)