N-(3-cyanophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(3-cyanophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide Openeye Name: N-(3-cyanophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-(3-cyanophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-(3-cyanophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-(3-cyanophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=CC=CC(=C3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=CC=CC(=C3)C#N)OC1

InChI

InChI=1S/C20H18N2O4/c21-13-14-3-1-4-16(11-14)22-20(24)8-6-17(23)15-5-7-18-19(12-15)26-10-2-9-25-18/h1,3-5,7,11-12H,2,6,8-10H2,(H,22,24)