methyl 5-[[4-(2-chloranyl-6-fluoranyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2-chloranyl-6-fluoranyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-chloro-6-fluoro-3-methyl-benzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-chloro-6-fluoro-3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-chloro-6-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-chloro-6-fluoro-3-methyl-benzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H22ClFN2O4 MolecularWeight: 408.851083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)F)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)F)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Cl

InChI

InChI=1S/C20H22ClFN2O4/c1-13-4-6-15(22)17(18(13)21)19(25)24-9-3-8-23(10-11-24)12-14-5-7-16(28-14)20(26)27-2/h4-7H,3,8-12H2,1-2H3