6-[2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(6-nitro-2-quinolyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[4-(6-nitro-2-quinolinyl)-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-(6-nitro-2-quinolyl)piperazino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)OCC(=O)N3)C4=NC5=C(C=C4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)OCC(=O)N3)C4=NC5=C(C=C4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4/c29-23-15-32-21-5-1-16(13-20(21)25-23)7-8-26-9-11-27(12-10-26)22-6-2-17-14-18(28(30)31)3-4-19(17)24-22/h1-6,13-14H,7-12,15H2,(H,25,29)