2-azanyl-4-[5-[(3-bromanylphenoxy)methyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-[(3-bromanylphenoxy)methyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(3-bromophenoxy)methyl]-2-furyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[(3-bromophenoxy)methyl]-2-furanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(3-bromophenoxy)methyl]-2-furyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(O3)COC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(O3)COC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H18BrN3O2/c22-13-4-3-5-14(10-13)26-12-15-8-9-19(27-15)20-16-6-1-2-7-18(16)25-21(24)17(20)11-23/h3-5,8-10H,1-2,6-7,12H2,(H2,24,25)