3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-nitro-1H-indole

Systemtic Name: 3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-nitro-1H-indole Openeye Name: 3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-5-nitro-1H-indole CAS Name: 3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-nitro-1H-indole IUPAC Name: 3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-nitro-1H-indole Traditional Name: 3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-5-nitro-1H-indole Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])OCC)C(C)C

Isomeric SMILES

CCOC1=N[C@@H](C(=N[C@H]1CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])OCC)C(C)C

InChI

InChI=1S/C20H26N4O4/c1-5-27-19-17(22-20(28-6-2)18(23-19)12(3)4)9-13-11-21-16-8-7-14(24(25)26)10-15(13)16/h7-8,10-12,17-18,21H,5-6,9H2,1-4H3/t17-,18+/m0/s1