[5-[[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(3-bromo-4-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H25BrN2O5/c1-15(25)28-14-18-6-5-17(29-18)13-23-8-3-9-24(11-10-23)21(26)16-4-7-20(27-2)19(22)12-16/h4-7,12H,3,8-11,13-14H2,1-2H3