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

Systemtic Name: 8-nitro-N-phenethyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: 8-nitro-N-phenethyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: 8-nitro-N-phenethyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: 8-nitro-N-phenethyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: 8-nitro-N-phenethyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C3=CC=CC=C3)C(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN2C(CN1C3=CC=CC=C3)C(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3/c32-27(28-14-13-20-7-3-1-4-8-20)24-18-21-17-23(31(33)34)11-12-25(21)30-16-15-29(19-26(24)30)22-9-5-2-6-10-22/h1-12,17,24,26H,13-16,18-19H2,(H,28,32)