2-[(2-methylpropan-2-yl)oxy]-3-[[4-[(2-nitrophenoxy)methyl]piperidin-1-yl]methyl]pyrazine

Systemtic Name: 2-[(2-methylpropan-2-yl)oxy]-3-[[4-[(2-nitrophenoxy)methyl]piperidin-1-yl]methyl]pyrazine Openeye Name: 2-tert-butoxy-3-[[4-[(2-nitrophenoxy)methyl]-1-piperidyl]methyl]pyrazine CAS Name: 2-[(2-methylpropan-2-yl)oxy]-3-[[4-[(2-nitrophenoxy)methyl]-1-piperidinyl]methyl]pyrazine IUPAC Name: 2-[(2-methylpropan-2-yl)oxy]-3-[[4-[(2-nitrophenoxy)methyl]piperidin-1-yl]methyl]pyrazine Traditional Name: 2-tert-butoxy-3-[[4-[(2-nitrophenoxy)methyl]piperidino]methyl]pyrazine Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=NC=CN=C1CN2CCC(CC2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=NC=CN=C1CN2CCC(CC2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4/c1-21(2,3)29-20-17(22-10-11-23-20)14-24-12-8-16(9-13-24)15-28-19-7-5-4-6-18(19)25(26)27/h4-7,10-11,16H,8-9,12-15H2,1-3H3