1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-(2-furylmethyl)-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-furanylmethyl)-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-(2-furfuryl)-1,4-diazepane Formula: C19H25BrN2O3 MolecularWeight: 409.3174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=CC=CO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=CC=CO3)Br)OC

InChI

InChI=1S/C19H25BrN2O3/c1-23-18-11-15(17(20)12-19(18)24-2)13-21-6-4-7-22(9-8-21)14-16-5-3-10-25-16/h3,5,10-12H,4,6-9,13-14H2,1-2H3