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

Systemtic Name: 3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]-1H-quinazoline-2,4-dione CAS Name: 3-[4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[4-keto-4-[4-(4-nitrophenyl)piperazino]butyl]-1H-quinazoline-2,4-quinone Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H23N5O5/c28-20(6-3-11-26-21(29)18-4-1-2-5-19(18)23-22(26)30)25-14-12-24(13-15-25)16-7-9-17(10-8-16)27(31)32/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,30)