ethyl 2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxycarbonyl-phenyl)carbamoyl]-1,2-diazepane-1-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxycarbonyl-phenyl)carbamoyl]-1,2-diazepane-1-carboxylate Openeye Name: ethyl 2-[(4-chloro-2-fluoro-5-isopropoxycarbonyl-phenyl)carbamoyl]diazepane-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-5-[oxo(propan-2-yloxy)methyl]anilino]-oxomethyl]-1-diazepanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl)carbamoyl]diazepane-1-carboxylate Traditional Name: 2-[(4-chloro-2-fluoro-5-isopropoxycarbonyl-phenyl)carbamoyl]diazepane-1-carboxylic acid ethyl ester Formula: C19H25ClFN3O5 MolecularWeight: 429.870303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCCCN1C(=O)NC2=C(C=C(C(=C2)C(=O)OC(C)C)Cl)F

Isomeric SMILES

CCOC(=O)N1CCCCCN1C(=O)NC2=C(C=C(C(=C2)C(=O)OC(C)C)Cl)F

InChI

InChI=1S/C19H25ClFN3O5/c1-4-28-19(27)24-9-7-5-6-8-23(24)18(26)22-16-10-13(14(20)11-15(16)21)17(25)29-12(2)3/h10-12H,4-9H2,1-3H3,(H,22,26)