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

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H24BrN3O MolecularWeight: 414.33876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H24BrN3O/c1-21(2,3)12-5-7-17-14(9-12)19(16(11-23)20(24)25-17)15-10-13(22)6-8-18(15)26-4/h6,8,10,12H,5,7,9H2,1-4H3,(H2,24,25)