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

Systemtic Name: N-[[4-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[[4-[(4-benzyloxy-3-methoxy-phenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenyl]amine Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2/c1-30-23-13-20(9-12-22(23)31-16-19-5-3-2-4-6-19)15-25-21-10-7-18(8-11-21)14-26-24-27-17-28-29-24/h2-13,17,25H,14-16H2,1H3,(H2,26,27,28,29)