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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC(=C3)Br)OCC

Isomeric SMILES

CCCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC(=C3)Br)OCC

InChI

InChI=1S/C21H24BrN3O/c1-3-5-13-6-8-18-15(10-13)20(17(12-23)21(24)25-18)16-11-14(22)7-9-19(16)26-4-2/h7,9,11,13H,3-6,8,10H2,1-2H3,(H2,24,25)