1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrobenzo[b][1]benzothiepin-6-yl)piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrobenzo[b][1]benzothiepin-6-yl)piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrobenzo[b][1]benzothiepin-6-yl)piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitro-6-benzo[b][1]benzothiepinyl)piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrobenzo[b][1]benzothiepin-6-yl)piperazine Traditional Name: 1-(3-nitrobenzo[b][1]benzothiepin-6-yl)-4-piperonyl-piperazine Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])SC6=CC=CC=C64

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])SC6=CC=CC=C64

InChI

InChI=1S/C26H23N3O4S/c30-29(31)20-6-8-25-19(14-20)15-22(21-3-1-2-4-26(21)34-25)28-11-9-27(10-12-28)16-18-5-7-23-24(13-18)33-17-32-23/h1-8,13-15H,9-12,16-17H2