6-bromanyl-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 6-bromo-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 6-bromo-3-[3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 6-bromo-3-[3-keto-3-[4-(4-nitrophenyl)piperazino]propyl]quinazolin-4-one Formula: C21H20BrN5O4 MolecularWeight: 486.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H20BrN5O4/c22-15-1-6-19-18(13-15)21(29)26(14-23-19)8-7-20(28)25-11-9-24(10-12-25)16-2-4-17(5-3-16)27(30)31/h1-6,13-14H,7-12H2