2-[2-(azepan-1-yl)-5-nitro-phenyl]-3-[(4-chlorophenyl)methyl]-1,3-oxazinane

Systemtic Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-3-[(4-chlorophenyl)methyl]-1,3-oxazinane Openeye Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-3-[(4-chlorophenyl)methyl]-1,3-oxazinane CAS Name: 2-[2-(1-azepanyl)-5-nitrophenyl]-3-[(4-chlorophenyl)methyl]-1,3-oxazinane IUPAC Name: 2-[2-(azepan-1-yl)-5-nitrophenyl]-3-[(4-chlorophenyl)methyl]-1,3-oxazinane Traditional Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-3-(4-chlorobenzyl)-1,3-oxazinane Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O3/c24-19-8-6-18(7-9-19)17-26-14-5-15-30-23(26)21-16-20(27(28)29)10-11-22(21)25-12-3-1-2-4-13-25/h6-11,16,23H,1-5,12-15,17H2