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

Systemtic Name: 2-(3-chloranyl-4-oxidanyl-phenyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C18H21ClN2O2S MolecularWeight: 364.88954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2S/c19-16-10-14(2-3-17(16)22)11-18(23)21-6-1-5-20(7-8-21)12-15-4-9-24-13-15/h2-4,9-10,13,22H,1,5-8,11-12H2