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

Systemtic Name: N-butan-2-yl-3-cyclopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: 3-cyclopentyl-8-nitro-N-sec-butyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: N-butan-2-yl-3-cyclopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: N-butan-2-yl-3-cyclopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: 3-cyclopentyl-8-nitro-N-sec-butyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CN(CC3)C4CCCC4

Isomeric SMILES

CCC(C)NC(=O)C1CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CN(CC3)C4CCCC4

InChI

InChI=1S/C22H32N4O3/c1-3-15(2)23-22(27)19-13-16-12-18(26(28)29)8-9-20(16)25-11-10-24(14-21(19)25)17-6-4-5-7-17/h8-9,12,15,17,19,21H,3-7,10-11,13-14H2,1-2H3,(H,23,27)