ethyl 3-[(3,3-dimethylpiperidin-1-yl)methyl]-8-fluoranyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 3-[(3,3-dimethylpiperidin-1-yl)methyl]-8-fluoranyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 3-[(3,3-dimethyl-1-piperidyl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 3-[(3,3-dimethyl-1-piperidinyl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3,3-dimethylpiperidin-1-yl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 3-[(3,3-dimethylpiperidino)methyl]-8-fluoro-2-keto-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C20H26FN3O3 MolecularWeight: 375.437143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCCC(C3)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCCC(C3)(C)C

InChI

InChI=1S/C20H26FN3O3/c1-4-27-19(26)17-14(11-24-9-5-8-20(2,3)12-24)18(25)23-16-10-13(21)6-7-15(16)22-17/h6-7,10,22H,4-5,8-9,11-12H2,1-3H3,(H,23,25)