N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[2-(3-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-[2-(m-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=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

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

InChI

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