1-[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone

Systemtic Name: 1-[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone Openeye Name: 1-[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone CAS Name: 1-[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone IUPAC Name: 1-[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone Traditional Name: 2-(4-fluorophenyl)-1-[4-(indoxazen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)F)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)F)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H22FN3O2/c22-17-8-6-16(7-9-17)14-21(26)25-11-3-10-24(12-13-25)15-19-18-4-1-2-5-20(18)27-23-19/h1-2,4-9H,3,10-15H2