N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrazol-5-amine

Systemtic Name: N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrazol-5-amine Openeye Name: 1-allyl-N-[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl]tetrazol-5-amine CAS Name: N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-prop-2-enyl-5-tetrazolamine IUPAC Name: N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine Traditional Name: (1-allyltetrazol-5-yl)-(4-benzoxy-3-chloro-5-ethoxy-benzyl)amine Formula: C20H22ClN5O2 MolecularWeight: 399.87398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=NN=NN2CC=C)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=NN=NN2CC=C)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN5O2/c1-3-10-26-20(23-24-25-26)22-13-16-11-17(21)19(18(12-16)27-4-2)28-14-15-8-6-5-7-9-15/h3,5-9,11-12H,1,4,10,13-14H2,2H3,(H,22,23,25)