N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholin-4-yl-pyridine-2-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholin-4-yl-pyridine-2-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholino-pyridine-2-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-morpholinyl)-2-pyridinecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholino-picolinamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NC=CC(=C3)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NC=CC(=C3)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C20H22ClN3O4/c21-16-10-14(11-18-19(16)28-7-1-6-27-18)13-23-20(25)17-12-15(2-3-22-17)24-4-8-26-9-5-24/h2-3,10-12H,1,4-9,13H2,(H,23,25)