[4-(1-adamantylcarbonyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-benzyloxyphenyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(3-phenylmethoxyphenyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(3-benzoxyphenyl)methanone Formula: C29H34N2O3 MolecularWeight: 458.59186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34N2O3/c32-27(25-7-4-8-26(16-25)34-20-21-5-2-1-3-6-21)30-9-11-31(12-10-30)28(33)29-17-22-13-23(18-29)15-24(14-22)19-29/h1-8,16,22-24H,9-15,17-20H2