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

Systemtic Name: 8-nitro-N-phenethyl-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: 8-nitro-N-phenethyl-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: 8-nitro-N-phenethyl-3-(2-pyridinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: 8-nitro-N-phenethyl-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: 8-nitro-N-phenethyl-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C3=CC=CC=N3)C(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN2C(CN1C3=CC=CC=N3)C(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O3/c32-26(28-13-11-19-6-2-1-3-7-19)22-17-20-16-21(31(33)34)9-10-23(20)30-15-14-29(18-24(22)30)25-8-4-5-12-27-25/h1-10,12,16,22,24H,11,13-15,17-18H2,(H,28,32)