(3-chloranyl-1-adamantyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-(3-methylbenzyl)piperazino]methanone Formula: C23H31ClN2O MolecularWeight: 386.95804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O/c1-17-3-2-4-18(9-17)15-25-5-7-26(8-6-25)21(27)22-11-19-10-20(12-22)14-23(24,13-19)16-22/h2-4,9,19-20H,5-8,10-16H2,1H3