N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-1,2,3,4-tetrazol-5-amine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-tetrazol-5-amine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyl-5-tetrazolamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-phenyltetrazol-5-amine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(1-phenyltetrazol-5-yl)amine Formula: C17H16ClN5O2 MolecularWeight: 357.79424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=NN=NN3C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=NN=NN3C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C17H16ClN5O2/c18-14-9-12(10-15-16(14)25-8-4-7-24-15)11-19-17-20-21-22-23(17)13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11H2,(H,19,20,22)