(4-bromanyl-3,5-dimethoxy-phenyl)-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(tetrahydrofuran-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(2-oxolanylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(tetrahydrofurfuryl)-1,4-diazepan-1-yl]methanone Formula: C19H27BrN2O4 MolecularWeight: 427.33268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCCN(CC2)CC3CCCO3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCCN(CC2)CC3CCCO3

InChI

InChI=1S/C19H27BrN2O4/c1-24-16-11-14(12-17(25-2)18(16)20)19(23)22-7-4-6-21(8-9-22)13-15-5-3-10-26-15/h11-12,15H,3-10,13H2,1-2H3