1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(3-thenyl)-1,4-diazepane Formula: C17H20ClFN2S MolecularWeight: 338.870503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CSC=C2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN(C1)CC2=CSC=C2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN2S/c18-16-10-14(2-3-17(16)19)11-20-5-1-6-21(8-7-20)12-15-4-9-22-13-15/h2-4,9-10,13H,1,5-8,11-12H2