2-azanyl-4-(5-bromanyl-2-fluoranyl-phenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-fluoranyl-phenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Openeye Name: 2-amino-4-(5-bromo-2-fluoro-phenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile CAS Name: 2-amino-4-(5-bromo-2-fluorophenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-fluorophenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Traditional Name: 2-amino-4-(5-bromo-2-fluoro-phenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Formula: C23H22BrFN4 MolecularWeight: 453.349983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C23H22BrFN4/c1-22(2,3)13-4-6-15-16(8-13)20(17-9-14(24)5-7-19(17)25)23(11-27,12-28)21(29)18(15)10-26/h5-7,9,13,16,20H,4,8,29H2,1-3H3