5-[2-(4-nitrophenyl)piperazin-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[2-(4-nitrophenyl)piperazin-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[2-(4-nitrophenyl)piperazin-1-yl]-5-octyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[2-(4-nitrophenyl)-1-piperazinyl]-5-octyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[2-(4-nitrophenyl)piperazin-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-(4-nitrophenyl)piperazino]-5-octyl-barbituric acid Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=O)NC(=O)NC1=O)N2CCNCC2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1(C(=O)NC(=O)NC1=O)N2CCNCC2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O5/c1-2-3-4-5-6-7-12-22(19(28)24-21(30)25-20(22)29)26-14-13-23-15-18(26)16-8-10-17(11-9-16)27(31)32/h8-11,18,23H,2-7,12-15H2,1H3,(H2,24,25,28,29,30)