7-[cyano(phenyl)methyl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carbonitrile

Systemtic Name: 7-[cyano(phenyl)methyl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carbonitrile Openeye Name: 7-[cyano(phenyl)methyl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carbonitrile CAS Name: 7-[cyano(phenyl)methyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarbonitrile IUPAC Name: 7-[cyano(phenyl)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carbonitrile Traditional Name: 7-[cyano(phenyl)methyl]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carbonitrile Formula: C21H13F2N3O MolecularWeight: 361.344226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)C(C#N)C4=CC=CC=C4)F)C#N

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)C(C#N)C4=CC=CC=C4)F)C#N

InChI

InChI=1S/C21H13F2N3O/c22-17-8-15-20(26(14-6-7-14)11-13(9-24)21(15)27)19(23)18(17)16(10-25)12-4-2-1-3-5-12/h1-5,8,11,14,16H,6-7H2