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

Systemtic Name: methyl 4-[4-[1-(cyclohexylcarbamoyl)cyclopropyl]-3-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[1-(cyclohexylcarbamoyl)cyclopropyl]-3-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-[(cyclohexylamino)-oxomethyl]cyclopropyl]-3-fluorophenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[1-(cyclohexylcarbamoyl)cyclopropyl]-3-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[1-(cyclohexylcarbamoyl)cyclopropyl]-3-fluoro-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C22H30FN3O3 MolecularWeight: 403.490303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC(=C(C=C2)C3(CC3)C(=O)NC4CCCCC4)F

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC(=C(C=C2)C3(CC3)C(=O)NC4CCCCC4)F

InChI

InChI=1S/C22H30FN3O3/c1-29-21(28)26-13-11-25(12-14-26)17-7-8-18(19(23)15-17)22(9-10-22)20(27)24-16-5-3-2-4-6-16/h7-8,15-16H,2-6,9-14H2,1H3,(H,24,27)