N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)amine Formula: C16H15BrN5O2- MolecularWeight: 389.2266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=NN=N[N-]2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=NN=N[N-]2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15BrN5O2/c1-23-14-8-12(9-18-16-19-21-22-20-16)7-13(17)15(14)24-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H-,18,19,20,21,22)/q-1