N-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-3-(4-ethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-3-(4-ethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-keto-N-piperonyl-1H-quinazoline-4-carboxamide Formula: C25H22BrN3O5 MolecularWeight: 524.36328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCC4=CC5=C(C=C4)OCO5)O)C=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCC4=CC5=C(C=C4)OCO5)O)C=C(C=C3)Br

InChI

InChI=1S/C25H22BrN3O5/c1-2-15-3-7-18(8-4-15)29-24(31)28-20-9-6-17(26)12-19(20)25(29,32)23(30)27-13-16-5-10-21-22(11-16)34-14-33-21/h3-12,32H,2,13-14H2,1H3,(H,27,30)(H,28,31)