2-(1-adamantyl)-N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]acetamide Formula: C29H34ClN3O2 MolecularWeight: 492.05216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34ClN3O2/c30-25-15-24(31-27(34)19-29-16-20-12-21(17-29)14-22(13-20)18-29)6-7-26(25)32-8-10-33(11-9-32)28(35)23-4-2-1-3-5-23/h1-7,15,20-22H,8-14,16-19H2,(H,31,34)