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

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H22BrN3O MolecularWeight: 400.31218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC(=C3)Br)OCC

Isomeric SMILES

CCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC(=C3)Br)OCC

InChI

InChI=1S/C20H22BrN3O/c1-3-12-5-7-17-14(9-12)19(16(11-22)20(23)24-17)15-10-13(21)6-8-18(15)25-4-2/h6,8,10,12H,3-5,7,9H2,1-2H3,(H2,23,24)