2-[[3-(1,3-benzodioxol-5-ylmethyl)-2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-quinazolin-1-yl]methyl]benzonitrile CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1-quinazolinyl]methyl]benzonitrile IUPAC Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxoquinazolin-1-yl]methyl]benzonitrile Traditional Name: 2-[(2,4-diketo-3-piperonyl-quinazolin-1-yl)methyl]benzonitrile Formula: C24H17N3O4 MolecularWeight: 411.40948

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5C#N

InChI

InChI=1S/C24H17N3O4/c25-12-17-5-1-2-6-18(17)14-26-20-8-4-3-7-19(20)23(28)27(24(26)29)13-16-9-10-21-22(11-16)31-15-30-21/h1-11H,13-15H2