ethyl 2-[2-[5-(4-fluorophenyl)-2-methyl-phenyl]ethanoyl]-1,2-diazinane-1-carboxylate

Systemtic Name: ethyl 2-[2-[5-(4-fluorophenyl)-2-methyl-phenyl]ethanoyl]-1,2-diazinane-1-carboxylate Openeye Name: ethyl 2-[2-[5-(4-fluorophenyl)-2-methyl-phenyl]acetyl]hexahydropyridazine-1-carboxylate CAS Name: 2-[2-[5-(4-fluorophenyl)-2-methylphenyl]-1-oxoethyl]-1-diazinanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]diazinane-1-carboxylate Traditional Name: 2-[2-[5-(4-fluorophenyl)-2-methyl-phenyl]acetyl]hexahydropyridazine-1-carboxylic acid ethyl ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCCN1C(=O)CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)N1CCCCN1C(=O)CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H25FN2O3/c1-3-28-22(27)25-13-5-4-12-24(25)21(26)15-19-14-18(7-6-16(19)2)17-8-10-20(23)11-9-17/h6-11,14H,3-5,12-13,15H2,1-2H3