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

Systemtic Name: 2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-(phenylmethyl)-1,3-oxazinane Openeye Name: 3-benzyl-2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazinane CAS Name: 2-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-3-(phenylmethyl)-1,3-oxazinane IUPAC Name: 3-benzyl-2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazinane Traditional Name: 3-benzyl-2-[3-nitro-4-(4-phenylpiperazino)phenyl]-1,3-oxazinane Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(OC1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(OC1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O3/c32-31(33)26-20-23(27-30(14-7-19-34-27)21-22-8-3-1-4-9-22)12-13-25(26)29-17-15-28(16-18-29)24-10-5-2-6-11-24/h1-6,8-13,20,27H,7,14-19,21H2