2-(5-fluoranyl-1,3-dimethyl-pyrazol-4-yl)-4-methyl-4-(2-methylpropyl)-3,1-benzoxazine

Systemtic Name: 2-(5-fluoranyl-1,3-dimethyl-pyrazol-4-yl)-4-methyl-4-(2-methylpropyl)-3,1-benzoxazine Openeye Name: 2-(5-fluoro-1,3-dimethyl-pyrazol-4-yl)-4-isobutyl-4-methyl-3,1-benzoxazine CAS Name: 2-(5-fluoro-1,3-dimethyl-4-pyrazolyl)-4-methyl-4-(2-methylpropyl)-3,1-benzoxazine IUPAC Name: 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)-4-methyl-4-(2-methylpropyl)-3,1-benzoxazine Traditional Name: 2-(5-fluoro-1,3-dimethyl-pyrazol-4-yl)-4-isobutyl-4-methyl-3,1-benzoxazine Formula: C18H22FN3O MolecularWeight: 315.385183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=NC3=CC=CC=C3C(O2)(C)CC(C)C)F)C

Isomeric SMILES

CC1=NN(C(=C1C2=NC3=CC=CC=C3C(O2)(C)CC(C)C)F)C

InChI

InChI=1S/C18H22FN3O/c1-11(2)10-18(4)13-8-6-7-9-14(13)20-17(23-18)15-12(3)21-22(5)16(15)19/h6-9,11H,10H2,1-5H3