[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1-adamantyl]methanone

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1-adamantyl]methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(p-tolyl)-1-adamantyl]methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-[3-(4-methylphenyl)-1-adamantyl]methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1-adamantyl]methanone Traditional Name: [4-(2-methoxyphenyl)piperazino]-[3-(p-tolyl)-1-adamantyl]methanone Formula: C29H36N2O2 MolecularWeight: 444.60834

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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=C6OC

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C6=CC=CC=C6OC

InChI

InChI=1S/C29H36N2O2/c1-21-7-9-24(10-8-21)28-16-22-15-23(17-28)19-29(18-22,20-28)27(32)31-13-11-30(12-14-31)25-5-3-4-6-26(25)33-2/h3-10,22-23H,11-20H2,1-2H3