4-(4-oxidanylidenequinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide Openeye Name: 4-(4-oxoquinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)benzamide IUPAC Name: 4-(4-oxoquinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=NC6=CC=CC=C6C5=O

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=NC6=CC=CC=C6C5=O

InChI

InChI=1S/C27H23N3O4/c31-25(29-19-10-13-23-24(16-19)34-27(33-23)14-4-1-5-15-27)18-8-11-20(12-9-18)30-17-28-22-7-3-2-6-21(22)26(30)32/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,29,31)