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

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-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=CC(=C(C=C3)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O/c1-21(2,3)13-6-7-17-14(10-13)19(15(11-23)20(24)25-17)12-5-8-18(26-4)16(22)9-12/h5,8-9,13H,6-7,10H2,1-4H3,(H2,24,25)