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

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-nitro-4H-1,4-benzoxazin-3-one Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-nitro-4H-1,4-benzoxazin-3-one CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-6-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propyl]-6-nitro-4H-1,4-benzoxazin-3-one Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2C(=O)NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CCCC2C(=O)NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4O4/c22-15-3-5-16(6-4-15)25-12-10-24(11-13-25)9-1-2-20-21(27)23-18-14-17(26(28)29)7-8-19(18)30-20/h3-8,14,20H,1-2,9-13H2,(H,23,27)