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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-pyridin-4-yl-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(4-pyridyl)butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-pyridin-4-ylbutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-pyridin-4-ylbutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(4-pyridyl)butyramide Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4/c21-15(3-5-18(22)20-14-6-8-19-9-7-14)13-2-4-16-17(12-13)24-11-1-10-23-16/h2,4,6-9,12H,1,3,5,10-11H2,(H,19,20,22)