[4-(2-adamantyl)piperazin-1-yl]-(3-fluorophenyl)methanone; ethanedioic acid

Systemtic Name: [4-(2-adamantyl)piperazin-1-yl]-(3-fluorophenyl)methanone; ethanedioic acid Openeye Name: [4-(2-adamantyl)piperazin-1-yl]-(3-fluorophenyl)methanone; oxalic acid CAS Name: [4-(2-adamantyl)-1-piperazinyl]-(3-fluorophenyl)methanone; oxalic acid IUPAC Name: [4-(2-adamantyl)piperazin-1-yl]-(3-fluorophenyl)methanone; oxalic acid Traditional Name: [4-(2-adamantyl)piperazino]-(3-fluorophenyl)methanone; oxalic acid Formula: C23H29FN2O5 MolecularWeight: 432.485163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC(=CC=C5)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC(=CC=C5)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27FN2O.C2H2O4/c22-19-3-1-2-16(13-19)21(25)24-6-4-23(5-7-24)20-17-9-14-8-15(11-17)12-18(20)10-14;3-1(4)2(5)6/h1-3,13-15,17-18,20H,4-12H2;(H,3,4)(H,5,6)