3-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1H-2-benzofuran-5-amine

Systemtic Name: 3-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1H-2-benzofuran-5-amine Openeye Name: 3-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1H-isobenzofuran-5-amine CAS Name: 3-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1H-isobenzofuran-5-amine IUPAC Name: 3-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1H-2-benzofuran-5-amine Traditional Name: [3-phenyl-3-(1,2,4-triazol-1-ylmethyl)phthalan-5-yl]amine Formula: C17H16N4O MolecularWeight: 292.33514

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)N)C(O1)(CN3C=NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=C(C=C2)N)C(O1)(CN3C=NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H16N4O/c18-15-7-6-13-9-22-17(16(13)8-15,10-21-12-19-11-20-21)14-4-2-1-3-5-14/h1-8,11-12H,9-10,18H2