4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H22FN3O MolecularWeight: 351.417283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=NN(C=C1CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4F)C

InChI

InChI=1S/C21H22FN3O/c1-15-17(11-24(2)23-15)13-25-12-16-7-3-6-10-20(16)26-21(14-25)18-8-4-5-9-19(18)22/h3-11,21H,12-14H2,1-2H3