N-cyclohexyl-8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide

Systemtic Name: N-cyclohexyl-8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: N-cyclohexyl-8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: N-cyclohexyl-8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: N-cyclohexyl-8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: N-cyclohexyl-8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4O3/c30-25(26-19-7-3-1-4-8-19)22-16-18-15-21(29(31)32)11-12-23(18)28-14-13-27(17-24(22)28)20-9-5-2-6-10-20/h2,5-6,9-12,15,19,22,24H,1,3-4,7-8,13-14,16-17H2,(H,26,30)