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

Systemtic Name: [4-(2-adamantyl)piperazin-1-yl]-naphthalen-1-yl-methanone; ethanedioic acid Openeye Name: [4-(2-adamantyl)piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-(2-adamantyl)-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-(2-adamantyl)piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(2-adamantyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CC6=CC=CC=C65.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CC6=CC=CC=C65.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H30N2O.C2H2O4/c28-25(23-7-3-5-19-4-1-2-6-22(19)23)27-10-8-26(9-11-27)24-20-13-17-12-18(15-20)16-21(24)14-17;3-1(4)2(5)6/h1-7,17-18,20-21,24H,8-16H2;(H,3,4)(H,5,6)