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

Systemtic Name: 2-azanyl-4-[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[5-bromo-2-(2-fluorobenzyl)oxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C25H22BrFN2O3 MolecularWeight: 497.356183

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4F)C(=O)C1)C

InChI

InChI=1S/C25H22BrFN2O3/c1-25(2)10-19(30)23-21(11-25)32-24(29)17(12-28)22(23)16-9-15(26)7-8-20(16)31-13-14-5-3-4-6-18(14)27/h3-9,22H,10-11,13,29H2,1-2H3