[4-[[3-(4-methylphenyl)-1-adamantyl]carbonyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[[3-(4-methylphenyl)-1-adamantyl]carbonyl]piperazin-1-yl]-phenyl-methanone Openeye Name: phenyl-[4-[3-(p-tolyl)adamantane-1-carbonyl]piperazin-1-yl]methanone CAS Name: [4-[[3-(4-methylphenyl)-1-adamantyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-(4-methylphenyl)adamantane-1-carbonyl]piperazin-1-yl]-phenylmethanone Traditional Name: phenyl-[4-[3-(p-tolyl)adamantane-1-carbonyl]piperazino]methanone Formula: C29H34N2O2 MolecularWeight: 442.59246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O2/c1-21-7-9-25(10-8-21)28-16-22-15-23(17-28)19-29(18-22,20-28)27(33)31-13-11-30(12-14-31)26(32)24-5-3-2-4-6-24/h2-10,22-23H,11-20H2,1H3