2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C19H23BrN2O3S MolecularWeight: 439.36652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC3=CSC=C3)Br)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC3=CSC=C3)Br)O

InChI

InChI=1S/C19H23BrN2O3S/c1-25-18-9-15(16(20)11-17(18)23)10-19(24)22-5-2-4-21(6-7-22)12-14-3-8-26-13-14/h3,8-9,11,13,23H,2,4-7,10,12H2,1H3