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

Systemtic Name: 2-azanyl-4-[5-bromanyl-2-[(3-fluorophenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[5-bromo-2-(3-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=C4)F)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F)C(=O)C1

InChI

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