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

Systemtic Name: 5-[4-(4-nitrophenyl)piperazin-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[4-(4-nitrophenyl)piperazin-1-yl]-5-octyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[4-(4-nitrophenyl)-1-piperazinyl]-5-octyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[4-(4-nitrophenyl)piperazin-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(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)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1(C(=O)NC(=O)NC1=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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