1-oxidanylidene-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2H-isoquinoline-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2H-isoquinoline-3-carboxamide Openeye Name: 1-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2H-isoquinoline-3-carboxamide CAS Name: 1-oxo-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-2H-isoquinoline-3-carboxamide IUPAC Name: 1-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2H-isoquinoline-3-carboxamide Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C21H18N2O4/c24-19-15-6-2-1-5-13(15)11-16(23-19)20(25)22-14-7-8-17-18(12-14)27-21(26-17)9-3-4-10-21/h1-2,5-8,11-12H,3-4,9-10H2,(H,22,25)(H,23,24)