2-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-3-(phenylmethyl)-1,3-oxazinane

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-3-(phenylmethyl)-1,3-oxazinane Openeye Name: 3-benzyl-2-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-1,3-oxazinane CAS Name: 2-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]-3-(phenylmethyl)-1,3-oxazinane IUPAC Name: 3-benzyl-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1,3-oxazinane Traditional Name: 3-benzyl-2-[2-(4-methylpiperazino)-5-nitro-phenyl]-1,3-oxazinane Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3N(CCCO3)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3N(CCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3/c1-23-11-13-24(14-12-23)21-9-8-19(26(27)28)16-20(21)22-25(10-5-15-29-22)17-18-6-3-2-4-7-18/h2-4,6-9,16,22H,5,10-15,17H2,1H3