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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-1,3-oxazinane Openeye Name: 3-[(4-chlorophenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-1,3-oxazinane CAS Name: 3-[(4-chlorophenyl)methyl]-2-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]-1,3-oxazinane IUPAC Name: 3-[(4-chlorophenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1,3-oxazinane Traditional Name: 3-(4-chlorobenzyl)-2-[2-(4-methylpiperazino)-5-nitro-phenyl]-1,3-oxazinane Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O3/c1-24-10-12-25(13-11-24)21-8-7-19(27(28)29)15-20(21)22-26(9-2-14-30-22)16-17-3-5-18(23)6-4-17/h3-8,15,22H,2,9-14,16H2,1H3