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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H20ClN3O4/c1-2-6-22-16(23)5-4-14(21-22)18(24)20-11-12-9-13(19)17-15(10-12)25-7-3-8-26-17/h4-5,9-10H,2-3,6-8,11H2,1H3,(H,20,24)