N-(1,3-benzodioxol-5-yl)-4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]butyramide Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O4/c22-15-5-3-14(4-6-15)17-8-10-21(27)25(24-17)11-1-2-20(26)23-16-7-9-18-19(12-16)29-13-28-18/h3-10,12H,1-2,11,13H2,(H,23,26)