N-[[4-[(3-ethoxy-4-phenylmethoxy-phenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[[4-[(3-ethoxy-4-phenylmethoxy-phenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[[4-[(4-benzyloxy-3-ethoxy-phenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[[4-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[[4-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenyl]amine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2/c1-2-31-24-14-21(10-13-23(24)32-17-20-6-4-3-5-7-20)16-26-22-11-8-19(9-12-22)15-27-25-28-18-29-30-25/h3-14,18,26H,2,15-17H2,1H3,(H2,27,28,29,30)