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

Systemtic Name: 6-azanyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-amino-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-amino-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-amino-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-amino-2-[3-[4-(4-fluorophenyl)piperazino]propyl]-4H-1,4-benzoxazin-3-one Formula: C21H25FN4O2 MolecularWeight: 384.447203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2C(=O)NC3=C(O2)C=CC(=C3)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CCCC2C(=O)NC3=C(O2)C=CC(=C3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN4O2/c22-15-3-6-17(7-4-15)26-12-10-25(11-13-26)9-1-2-20-21(27)24-18-14-16(23)5-8-19(18)28-20/h3-8,14,20H,1-2,9-13,23H2,(H,24,27)