2-azanyl-4-(4-bromanyl-2-fluoranyl-phenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanyl-2-fluoranyl-phenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-fluoro-phenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-2-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-fluoro-phenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H17BrFN3 MolecularWeight: 374.250083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H17BrFN3/c1-2-10-3-6-16-13(7-10)17(14(9-21)18(22)23-16)12-5-4-11(19)8-15(12)20/h4-5,8,10H,2-3,6-7H2,1H3,(H2,22,23)