N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-piperonylamide Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O3/c29-24(18-7-11-21-22(15-18)31-16-30-21)25-19-8-5-17(6-9-19)20-10-12-23(27-26-20)28-13-3-1-2-4-14-28/h5-12,15H,1-4,13-14,16H2,(H,25,29)