2-azanyl-4-[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[5-bromo-2-(2-fluorobenzyl)oxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H18BrFN2O3 MolecularWeight: 469.303023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4F)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4F)C(=O)C1

InChI

InChI=1S/C23H18BrFN2O3/c24-14-8-9-19(29-12-13-4-1-2-5-17(13)25)15(10-14)21-16(11-26)23(27)30-20-7-3-6-18(28)22(20)21/h1-2,4-5,8-10,21H,3,6-7,12,27H2