[3-(4-methylphenyl)-1-adamantyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [3-(4-methylphenyl)-1-adamantyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: (4-phenylpiperazin-1-yl)-[3-(p-tolyl)-1-adamantyl]methanone CAS Name: [3-(4-methylphenyl)-1-adamantyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [3-(4-methylphenyl)-1-adamantyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: (4-phenylpiperazino)-[3-(p-tolyl)-1-adamantyl]methanone Formula: C28H34N2O MolecularWeight: 414.58236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C28H34N2O/c1-21-7-9-24(10-8-21)27-16-22-15-23(17-27)19-28(18-22,20-27)26(31)30-13-11-29(12-14-30)25-5-3-2-4-6-25/h2-10,22-23H,11-20H2,1H3