4-[3-(1,3-benzodioxol-5-yl)-5-oxidanylidene-2,4-diphenyl-1,2,4-triazolidin-1-yl]-2-chloranyl-quinoline-3-carbonitrile

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-5-oxidanylidene-2,4-diphenyl-1,2,4-triazolidin-1-yl]-2-chloranyl-quinoline-3-carbonitrile Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-5-oxo-2,4-diphenyl-1,2,4-triazolidin-1-yl]-2-chloro-quinoline-3-carbonitrile CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-5-oxo-2,4-diphenyl-1,2,4-triazolidin-1-yl]-2-chloro-3-quinolinecarbonitrile IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-5-oxo-2,4-diphenyl-1,2,4-triazolidin-1-yl]-2-chloroquinoline-3-carbonitrile Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-5-keto-2,4-diphenyl-1,2,4-triazolidin-1-yl]-2-chloro-quinoline-3-carbonitrile Formula: C31H20ClN5O3 MolecularWeight: 545.9752

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3N(C(=O)N(N3C4=CC=CC=C4)C5=C(C(=NC6=CC=CC=C65)Cl)C#N)C7=CC=CC=C7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3N(C(=O)N(N3C4=CC=CC=C4)C5=C(C(=NC6=CC=CC=C65)Cl)C#N)C7=CC=CC=C7

InChI

InChI=1S/C31H20ClN5O3/c32-29-24(18-33)28(23-13-7-8-14-25(23)34-29)37-31(38)35(21-9-3-1-4-10-21)30(36(37)22-11-5-2-6-12-22)20-15-16-26-27(17-20)40-19-39-26/h1-17,30H,19H2