2-(1-adamantyl)-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-(4-benzoyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(4-benzoylpiperazino)phenyl]acetamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H35N3O2/c33-27(20-29-17-21-14-22(18-29)16-23(15-21)19-29)30-25-6-8-26(9-7-25)31-10-12-32(13-11-31)28(34)24-4-2-1-3-5-24/h1-9,21-23H,10-20H2,(H,30,33)