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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)amine Formula: C17H17BrN5O2- MolecularWeight: 403.25318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=NN=N[N-]2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=NN=N[N-]2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C17H17BrN5O2/c1-2-24-15-9-13(10-19-17-20-22-23-21-17)8-14(18)16(15)25-11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H-,19,20,21,22,23)/q-1