3-(2-fluoranylphenoxy)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(2-fluoranylphenoxy)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(2-fluorophenoxy)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2-fluorophenoxy)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2-fluorophenoxy)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(2-fluorophenoxy)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C19H23FN2O2S MolecularWeight: 362.461523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCOC2=CC=CC=C2F)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCOC2=CC=CC=C2F)CC3=CSC=C3

InChI

InChI=1S/C19H23FN2O2S/c20-17-4-1-2-5-18(17)24-12-6-19(23)22-9-3-8-21(10-11-22)14-16-7-13-25-15-16/h1-2,4-5,7,13,15H,3,6,8-12,14H2