3-[(4,4-diethyl-1-methyl-2-oxidanylidene-3,1-benzoxazin-6-yl)amino]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(4,4-diethyl-1-methyl-2-oxidanylidene-3,1-benzoxazin-6-yl)amino]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(4,4-diethyl-1-methyl-2-oxo-3,1-benzoxazin-6-yl)amino]-5-fluoro-benzonitrile CAS Name: 3-[(4,4-diethyl-1-methyl-2-oxo-3,1-benzoxazin-6-yl)amino]-5-fluorobenzonitrile IUPAC Name: 3-[(4,4-diethyl-1-methyl-2-oxo-3,1-benzoxazin-6-yl)amino]-5-fluorobenzonitrile Traditional Name: 3-[(4,4-diethyl-2-keto-1-methyl-3,1-benzoxazin-6-yl)amino]-5-fluoro-benzonitrile Formula: C20H20FN3O2 MolecularWeight: 353.390103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)NC3=CC(=CC(=C3)C#N)F)N(C(=O)O1)C)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)NC3=CC(=CC(=C3)C#N)F)N(C(=O)O1)C)CC

InChI

InChI=1S/C20H20FN3O2/c1-4-20(5-2)17-11-15(6-7-18(17)24(3)19(25)26-20)23-16-9-13(12-22)8-14(21)10-16/h6-11,23H,4-5H2,1-3H3