1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-keto-nicotinamide Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC=CC=C4Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC=CC=C4Cl)OC1

InChI

InChI=1S/C22H19ClN2O4/c23-18-5-2-1-4-15(18)13-25-14-16(6-9-21(25)26)22(27)24-17-7-8-19-20(12-17)29-11-3-10-28-19/h1-2,4-9,12,14H,3,10-11,13H2,(H,24,27)