1-[(2-fluoranyl-4,5-dimethoxy-phenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(2-fluoranyl-4,5-dimethoxy-phenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(2-fluoro-4,5-dimethoxy-phenyl)methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(2-fluoro-4,5-dimethoxy-benzyl)-4-(3-thenyl)-1,4-diazepane Formula: C19H25FN2O2S MolecularWeight: 364.477403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=CSC=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=CSC=C3)F)OC

InChI

InChI=1S/C19H25FN2O2S/c1-23-18-10-16(17(20)11-19(18)24-2)13-22-6-3-5-21(7-8-22)12-15-4-9-25-14-15/h4,9-11,14H,3,5-8,12-13H2,1-2H3