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

Systemtic Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-3-(phenylmethyl)-1,3-oxazinane Openeye Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-3-benzyl-1,3-oxazinane CAS Name: 2-[2-(1-azepanyl)-5-nitrophenyl]-3-(phenylmethyl)-1,3-oxazinane IUPAC Name: 2-[2-(azepan-1-yl)-5-nitrophenyl]-3-benzyl-1,3-oxazinane Traditional Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-3-benzyl-1,3-oxazinane Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3N(CCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3N(CCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c27-26(28)20-11-12-22(24-13-6-1-2-7-14-24)21(17-20)23-25(15-8-16-29-23)18-19-9-4-3-5-10-19/h3-5,9-12,17,23H,1-2,6-8,13-16,18H2