2-[4-[(3-chloranyl-1-adamantyl)carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-1-adamantyl)carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(3-chloroadamantane-1-carbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(3-chloro-1-adamantyl)-oxomethyl]-1-piperazinyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(3-chloroadamantane-1-carbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(3-chloroadamantane-1-carbonyl)piperazino]-N-(2,3-dimethylphenyl)acetamide Formula: C25H34ClN3O2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

InChI

InChI=1S/C25H34ClN3O2/c1-17-4-3-5-21(18(17)2)27-22(30)15-28-6-8-29(9-7-28)23(31)24-11-19-10-20(12-24)14-25(26,13-19)16-24/h3-5,19-20H,6-16H2,1-2H3,(H,27,30)