2-[(9-fluoranyl-2,2,4-trimethyl-5-oxidanyl-1H-chromeno[3,4-f]quinolin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(9-fluoranyl-2,2,4-trimethyl-5-oxidanyl-1H-chromeno[3,4-f]quinolin-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(9-fluoro-5-hydroxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-yl)methyl]benzonitrile CAS Name: 2-[(9-fluoro-5-hydroxy-2,2,4-trimethyl-1H-[1]benzopyrano[3,4-f]quinolin-5-yl)methyl]benzonitrile IUPAC Name: 2-[(9-fluoro-5-hydroxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-yl)methyl]benzonitrile Traditional Name: 2-[(9-fluoro-5-hydroxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-yl)methyl]benzonitrile Formula: C27H23FN2O2 MolecularWeight: 426.482123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C3=C(C=C2)C4=C(C=CC(=C4)F)OC3(CC5=CC=CC=C5C#N)O)(C)C

Isomeric SMILES

CC1=CC(NC2=C1C3=C(C=C2)C4=C(C=CC(=C4)F)OC3(CC5=CC=CC=C5C#N)O)(C)C

InChI

InChI=1S/C27H23FN2O2/c1-16-13-26(2,3)30-22-10-9-20-21-12-19(28)8-11-23(21)32-27(31,25(20)24(16)22)14-17-6-4-5-7-18(17)15-29/h4-13,30-31H,14H2,1-3H3