2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-methoxy-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-methoxy-4H-1,4-benzoxazin-3-one Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-methoxy-4H-1,4-benzoxazin-3-one CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-6-methoxy-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-methoxy-4H-1,4-benzoxazin-3-one Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propyl]-6-methoxy-4H-1,4-benzoxazin-3-one Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(C(=O)N2)CCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)OC(C(=O)N2)CCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O3/c1-28-18-8-9-20-19(15-18)24-22(27)21(29-20)3-2-10-25-11-13-26(14-12-25)17-6-4-16(23)5-7-17/h4-9,15,21H,2-3,10-14H2,1H3,(H,24,27)