N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O5/c1-2-10-25-21(26)9-7-18(24-25)22(27)23-16-5-3-4-15(11-16)13-28-17-6-8-19-20(12-17)30-14-29-19/h3-9,11-12H,2,10,13-14H2,1H3,(H,23,27)