N-butan-2-yl-8-nitro-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide

Systemtic Name: N-butan-2-yl-8-nitro-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: 8-nitro-3-(2-pyridyl)-N-sec-butyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: N-butan-2-yl-8-nitro-3-(2-pyridinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: N-butan-2-yl-8-nitro-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: 8-nitro-3-(2-pyridyl)-N-sec-butyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCC(C)NC(=O)C1CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H27N5O3/c1-3-15(2)24-22(28)18-13-16-12-17(27(29)30)7-8-19(16)26-11-10-25(14-20(18)26)21-6-4-5-9-23-21/h4-9,12,15,18,20H,3,10-11,13-14H2,1-2H3,(H,24,28)