2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(5-bromanylpyridin-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(5-bromanylpyridin-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromo-2-pyridyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromo-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromopyridin-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromo-2-pyridyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H17BrN4O3 MolecularWeight: 465.29938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1

InChI

InChI=1S/C22H17BrN4O3/c23-13-5-7-19(26-10-13)27-15-2-1-3-16(28)21(15)20(14(9-24)22(27)25)12-4-6-17-18(8-12)30-11-29-17/h4-8,10,20H,1-3,11,25H2