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

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H26BrN3O MolecularWeight: 428.36534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=C(C(=NC3=C2CC(CC3)C(C)(C)C)N)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=C(C(=NC3=C2CC(CC3)C(C)(C)C)N)C#N

InChI

InChI=1S/C22H26BrN3O/c1-5-27-19-9-7-14(23)11-16(19)20-15-10-13(22(2,3)4)6-8-18(15)26-21(25)17(20)12-24/h7,9,11,13H,5-6,8,10H2,1-4H3,(H2,25,26)