2-azanyl-1-(3-fluorophenyl)-3-oxidanyl-octan-4-one; 4-methylpiperazine-1-carboxamide

Systemtic Name: 2-azanyl-1-(3-fluorophenyl)-3-oxidanyl-octan-4-one; 4-methylpiperazine-1-carboxamide Openeye Name: 2-amino-1-(3-fluorophenyl)-3-hydroxy-octan-4-one; 4-methylpiperazine-1-carboxamide CAS Name: 2-amino-1-(3-fluorophenyl)-3-hydroxy-4-octanone; 4-methyl-1-piperazinecarboxamide IUPAC Name: 2-amino-1-(3-fluorophenyl)-3-hydroxyoctan-4-one; 4-methylpiperazine-1-carboxamide Traditional Name: 2-amino-1-(3-fluorophenyl)-3-hydroxy-octan-4-one; 4-methylpiperazine-1-carboxamide Formula: C20H33FN4O3 MolecularWeight: 396.499423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(C(CC1=CC(=CC=C1)F)N)O.CN1CCN(CC1)C(=O)N

Isomeric SMILES

CCCCC(=O)C(C(CC1=CC(=CC=C1)F)N)O.CN1CCN(CC1)C(=O)N

InChI

InChI=1S/C14H20FNO2.C6H13N3O/c1-2-3-7-13(17)14(18)12(16)9-10-5-4-6-11(15)8-10;1-8-2-4-9(5-3-8)6(7)10/h4-6,8,12,14,18H,2-3,7,9,16H2,1H3;2-5H2,1H3,(H2,7,10)