6-fluoranyl-3-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1,2-benzoxazole

Systemtic Name: 6-fluoranyl-3-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1,2-benzoxazole Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)propyl]-6-fluoro-1,2-benzoxazole CAS Name: 6-fluoro-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1,2-benzoxazole IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)propyl]-6-fluoro-1,2-benzoxazole Traditional Name: 3-[3-(4-benzylpiperazino)propyl]-6-fluoro-indoxazene Formula: C21H24FN3O MolecularWeight: 353.433163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=NOC3=C2C=CC(=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCC2=NOC3=C2C=CC(=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H24FN3O/c22-18-8-9-19-20(23-26-21(19)15-18)7-4-10-24-11-13-25(14-12-24)16-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14,16H2