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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(4-bromanyl-2-fluoranyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluoro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluoro-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H17BrFN3O3 MolecularWeight: 482.301783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1

InChI

InChI=1S/C23H17BrFN3O3/c24-13-5-6-16(15(25)9-13)28-17-2-1-3-18(29)22(17)21(14(10-26)23(28)27)12-4-7-19-20(8-12)31-11-30-19/h4-9,21H,1-3,11,27H2