1-(diphenylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine

Systemtic Name: 1-(diphenylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Openeye Name: 1-benzhydryl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine CAS Name: 1-(diphenylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine IUPAC Name: 1-benzhydryl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Traditional Name: 1-benzhydryl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4/c30-29(31)24-15-22(26-23(16-24)18-32-19-33-26)17-27-11-13-28(14-12-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-16,25H,11-14,17-19H2