2-(5-nitro-2-piperidin-1-yl-phenyl)-3-(phenylmethyl)-1,3-oxazinane

Systemtic Name: 2-(5-nitro-2-piperidin-1-yl-phenyl)-3-(phenylmethyl)-1,3-oxazinane Openeye Name: 3-benzyl-2-[5-nitro-2-(1-piperidyl)phenyl]-1,3-oxazinane CAS Name: 2-[5-nitro-2-(1-piperidinyl)phenyl]-3-(phenylmethyl)-1,3-oxazinane IUPAC Name: 3-benzyl-2-(5-nitro-2-piperidin-1-ylphenyl)-1,3-oxazinane Traditional Name: 3-benzyl-2-(5-nitro-2-piperidino-phenyl)-1,3-oxazinane Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3N(CCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3N(CCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3/c26-25(27)19-10-11-21(23-12-5-2-6-13-23)20(16-19)22-24(14-7-15-28-22)17-18-8-3-1-4-9-18/h1,3-4,8-11,16,22H,2,5-7,12-15,17H2