N-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzyl]adamantane-1-carboxamide Formula: C31H39N3O2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C31H39N3O2/c1-21-4-3-5-28(22(21)2)33-10-12-34(13-11-33)29(35)27-8-6-23(7-9-27)20-32-30(36)31-17-24-14-25(18-31)16-26(15-24)19-31/h3-9,24-26H,10-20H2,1-2H3,(H,32,36)