[4-(1-adamantyl)piperazin-1-yl]-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[5-[(4-bromophenoxy)methyl]-2-furyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[5-[(4-bromophenoxy)methyl]-2-furanyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[5-[(4-bromophenoxy)methyl]-2-furyl]methanone Formula: C26H31BrN2O3 MolecularWeight: 499.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Br)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Br)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H31BrN2O3/c27-21-1-3-22(4-2-21)31-17-23-5-6-24(32-23)25(30)28-7-9-29(10-8-28)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-6,18-20H,7-17H2