N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-diketo-isoindoline-5-carboxamide Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4

InChI

InChI=1S/C21H17ClN2O5/c1-2-6-24-20(26)13-5-4-12(9-14(13)21(24)27)19(25)23-16-11-18-17(10-15(16)22)28-7-3-8-29-18/h2,4-5,9-11H,1,3,6-8H2,(H,23,25)