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

Systemtic Name: 2-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-(phenylmethyl)-1,3-oxazinane Openeye Name: 3-benzyl-2-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-1,3-oxazinane CAS Name: 2-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-(phenylmethyl)-1,3-oxazinane IUPAC Name: 3-benzyl-2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-1,3-oxazinane Traditional Name: 3-benzyl-2-[4-(4-benzylpiperazino)-3-nitro-phenyl]-1,3-oxazinane Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(OC1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(OC1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H32N4O3/c33-32(34)27-20-25(28-31(14-7-19-35-28)22-24-10-5-2-6-11-24)12-13-26(27)30-17-15-29(16-18-30)21-23-8-3-1-4-9-23/h1-6,8-13,20,28H,7,14-19,21-22H2