methyl 4-[4-[1-(1-adamantylcarbamoyl)cyclopropyl]-3-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[1-(1-adamantylcarbamoyl)cyclopropyl]-3-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[1-(1-adamantylcarbamoyl)cyclopropyl]-3-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-[(1-adamantylamino)-oxomethyl]cyclopropyl]-3-fluorophenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[1-(1-adamantylcarbamoyl)cyclopropyl]-3-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[1-(1-adamantylcarbamoyl)cyclopropyl]-3-fluoro-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C26H34FN3O3 MolecularWeight: 455.564863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC(=C(C=C2)C3(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)F

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC(=C(C=C2)C3(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)F

InChI

InChI=1S/C26H34FN3O3/c1-33-24(32)30-8-6-29(7-9-30)20-2-3-21(22(27)13-20)26(4-5-26)23(31)28-25-14-17-10-18(15-25)12-19(11-17)16-25/h2-3,13,17-19H,4-12,14-16H2,1H3,(H,28,31)