3-(2-fluoranyl-3-phenylmethoxy-propyl)-5-(1,2,4-triazol-4-yl)-1H-indole

Systemtic Name: 3-(2-fluoranyl-3-phenylmethoxy-propyl)-5-(1,2,4-triazol-4-yl)-1H-indole Openeye Name: 3-(3-benzyloxy-2-fluoro-propyl)-5-(1,2,4-triazol-4-yl)-1H-indole CAS Name: 3-(2-fluoro-3-phenylmethoxypropyl)-5-(1,2,4-triazol-4-yl)-1H-indole IUPAC Name: 3-(2-fluoro-3-phenylmethoxypropyl)-5-(1,2,4-triazol-4-yl)-1H-indole Traditional Name: 3-(3-benzoxy-2-fluoro-propyl)-5-(1,2,4-triazol-4-yl)-1H-indole Formula: C20H19FN4O MolecularWeight: 350.389463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CC2=CNC3=C2C=C(C=C3)N4C=NN=C4)F

Isomeric SMILES

C1=CC=C(C=C1)COCC(CC2=CNC3=C2C=C(C=C3)N4C=NN=C4)F

InChI

InChI=1S/C20H19FN4O/c21-17(12-26-11-15-4-2-1-3-5-15)8-16-10-22-20-7-6-18(9-19(16)20)25-13-23-24-14-25/h1-7,9-10,13-14,17,22H,8,11-12H2