(3-chloranyl-1-adamantyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C23H31ClN2O MolecularWeight: 386.95804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

InChI

InChI=1S/C23H31ClN2O/c1-16-4-3-5-20(17(16)2)25-6-8-26(9-7-25)21(27)22-11-18-10-19(12-22)14-23(24,13-18)15-22/h3-5,18-19H,6-15H2,1-2H3