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

Systemtic Name: 3-(2-fluoranylphenoxy)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(2-fluorophenoxy)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2-fluorophenoxy)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2-fluorophenoxy)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(2-fluorophenoxy)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Formula: C18H22FN3O2S MolecularWeight: 363.449583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCOC2=CC=CC=C2F)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCOC2=CC=CC=C2F)CC3=NC=CS3

InChI

InChI=1S/C18H22FN3O2S/c19-15-4-1-2-5-16(15)24-12-6-18(23)22-9-3-8-21(10-11-22)14-17-20-7-13-25-17/h1-2,4-5,7,13H,3,6,8-12,14H2