2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl adamantane-1-carboxylate

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl adamantane-1-carboxylate Openeye Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 2-[4-[bis(4-fluorophenyl)methyl]piperazino]ethyl ester Formula: C30H36F2N2O2 MolecularWeight: 494.615846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C23CC4CC(C2)CC(C4)C3)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1CCOC(=O)C23CC4CC(C2)CC(C4)C3)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

InChI

InChI=1S/C30H36F2N2O2/c31-26-5-1-24(2-6-26)28(25-3-7-27(32)8-4-25)34-11-9-33(10-12-34)13-14-36-29(35)30-18-21-15-22(19-30)17-23(16-21)20-30/h1-8,21-23,28H,9-20H2