N-[2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]-4-butoxy-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]-4-butoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-butoxy-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-butoxybenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-butoxybenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-4-keto-1,2-dihydroquinazolin-3-yl]-4-butoxy-benzamide Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N3O5/c1-2-3-14-32-19-11-8-17(9-12-19)25(30)28-29-24(18-10-13-22-23(15-18)34-16-33-22)27-21-7-5-4-6-20(21)26(29)31/h4-13,15,24,27H,2-3,14,16H2,1H3,(H,28,30)