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

Systemtic Name: 1-[4-(4-aminophenyl)-3-octyl-piperazin-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 1-[4-(4-aminophenyl)-3-octyl-piperazin-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-[4-(4-aminophenyl)-3-octyl-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[4-(4-aminophenyl)-3-octylpiperazin-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-[4-(4-aminophenyl)-3-octyl-piperazino]barbituric acid Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)N)N3C(=O)CC(=O)NC3=O

Isomeric SMILES

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)N)N3C(=O)CC(=O)NC3=O

InChI

InChI=1S/C22H33N5O3/c1-2-3-4-5-6-7-8-19-16-25(27-21(29)15-20(28)24-22(27)30)13-14-26(19)18-11-9-17(23)10-12-18/h9-12,19H,2-8,13-16,23H2,1H3,(H,24,28,30)