N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazino]phenyl]adamantane-1-carboxamide Formula: C30H37N3O2 MolecularWeight: 471.63368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H37N3O2/c1-21-4-2-3-5-25(21)17-28(34)33-12-10-32(11-13-33)27-8-6-26(7-9-27)31-29(35)30-18-22-14-23(19-30)16-24(15-22)20-30/h2-9,22-24H,10-20H2,1H3,(H,31,35)