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

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazine-1-carbonyl)benzyl]adamantane-1-carboxamide Formula: C30H37N3O2 MolecularWeight: 471.63368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H37N3O2/c34-28(33-12-10-32(11-13-33)21-23-4-2-1-3-5-23)27-8-6-22(7-9-27)20-31-29(35)30-17-24-14-25(18-30)16-26(15-24)19-30/h1-9,24-26H,10-21H2,(H,31,35)