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

Systemtic Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C23H26FN3O MolecularWeight: 379.470443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4F)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4F)C

InChI

InChI=1S/C23H26FN3O/c1-4-27-17(3)20(16(2)25-27)14-26-13-18-9-5-8-12-22(18)28-23(15-26)19-10-6-7-11-21(19)24/h5-12,23H,4,13-15H2,1-3H3