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

Systemtic Name: 2-azanyl-4-(4-chloranyl-3-fluoranyl-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-chloro-3-fluoro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-chloro-3-fluoro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C16H13ClFN3 MolecularWeight: 301.745923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C16H13ClFN3/c17-12-6-5-9(7-13(12)18)15-10-3-1-2-4-14(10)21-16(20)11(15)8-19/h5-7H,1-4H2,(H2,20,21)