2-azanyl-4-(1,3-benzodioxol-5-yl)-1-[2,6-bis(fluoranyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-[2,6-bis(fluoranyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H17F2N3O3 MolecularWeight: 421.396186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=C(C=CC=C3F)F)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=C(C=CC=C3F)F)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1

InChI

InChI=1S/C23H17F2N3O3/c24-14-3-1-4-15(25)22(14)28-16-5-2-6-17(29)21(16)20(13(10-26)23(28)27)12-7-8-18-19(9-12)31-11-30-18/h1,3-4,7-9,20H,2,5-6,11,27H2