3-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethylhexyl)-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethylhexyl)-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethylhexyl)-2,4-dioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethylhexyl)-2,4-dioxo-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethylhexyl)-2,4-dioxo-1H-quinazoline-7-carboxamide Traditional Name: N-(2-ethylhexyl)-2,4-diketo-3-piperonyl-1H-quinazoline-7-carboxamide Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H29N3O5/c1-3-5-6-16(4-2)13-26-23(29)18-8-9-19-20(12-18)27-25(31)28(24(19)30)14-17-7-10-21-22(11-17)33-15-32-21/h7-12,16H,3-6,13-15H2,1-2H3,(H,26,29)(H,27,31)