ethyl 2-azanyl-8-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-3H-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 2-azanyl-8-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-3H-1-benzazepine-4-carboxylate Openeye Name: ethyl 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylate CAS Name: 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylate Traditional Name: 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylic acid ethyl ester Formula: C15H13F5N2O2 MolecularWeight: 348.267936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(C=C2)C(C(F)(F)F)(F)F)N=C(C1)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(C=C2)C(C(F)(F)F)(F)F)N=C(C1)N

InChI

InChI=1S/C15H13F5N2O2/c1-2-24-13(23)9-5-8-3-4-10(14(16,17)15(18,19)20)7-11(8)22-12(21)6-9/h3-5,7H,2,6H2,1H3,(H2,21,22)