[4-(1-adamantyl)piperazin-1-yl]-[3-[(4-methoxyphenoxy)methyl]phenyl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[3-[(4-methoxyphenoxy)methyl]phenyl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[3-[(4-methoxyphenoxy)methyl]phenyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[3-[(4-methoxyphenoxy)methyl]phenyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[3-[(4-methoxyphenoxy)methyl]phenyl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[3-[(4-methoxyphenoxy)methyl]phenyl]methanone Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36N2O3/c1-33-26-5-7-27(8-6-26)34-20-21-3-2-4-25(16-21)28(32)30-9-11-31(12-10-30)29-17-22-13-23(18-29)15-24(14-22)19-29/h2-8,16,22-24H,9-15,17-20H2,1H3