1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C19H25BrN2O2S MolecularWeight: 425.383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

InChI

InChI=1S/C19H25BrN2O2S/c1-13-5-6-18(25-13)19(22-9-4-7-21-8-10-22)14-11-16(23-2)17(24-3)12-15(14)20/h5-6,11-12,19,21H,4,7-10H2,1-3H3