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

Systemtic Name: 2-azanyl-6-tert-butyl-4-(4-chloranyl-3-fluoranyl-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-6-tert-butyl-4-(4-chloro-3-fluoro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-6-tert-butyl-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-6-tert-butyl-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-6-tert-butyl-4-(4-chloro-3-fluoro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H21ClFN3 MolecularWeight: 357.852243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3/c1-20(2,3)12-5-7-17-13(9-12)18(14(10-23)19(24)25-17)11-4-6-15(21)16(22)8-11/h4,6,8,12H,5,7,9H2,1-3H3,(H2,24,25)