N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[3-ethoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-3-methyl-butyramide Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C21H23FN4O2/c1-4-28-21-24-20(17-7-5-6-8-18(17)22)26(25-21)16-11-9-15(10-12-16)23-19(27)13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)