6-bromanyl-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazoline-2,4-dione

Systemtic Name: 6-bromanyl-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazoline-2,4-dione Openeye Name: 6-bromo-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]-1H-quinazoline-2,4-dione CAS Name: 6-bromo-3-[4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutyl]-1H-quinazoline-2,4-dione IUPAC Name: 6-bromo-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]-1H-quinazoline-2,4-dione Traditional Name: 6-bromo-3-[4-keto-4-[4-(4-nitrophenyl)piperazino]butyl]-1H-quinazoline-2,4-quinone Formula: C22H22BrN5O5 MolecularWeight: 516.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=O

InChI

InChI=1S/C22H22BrN5O5/c23-15-3-8-19-18(14-15)21(30)27(22(31)24-19)9-1-2-20(29)26-12-10-25(11-13-26)16-4-6-17(7-5-16)28(32)33/h3-8,14H,1-2,9-13H2,(H,24,31)