N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C22H24N6O2/c1-27-21(29)12-10-19(26-27)22(30)23-17-8-6-7-16(15-17)18-9-11-20(25-24-18)28-13-4-2-3-5-14-28/h6-12,15H,2-5,13-14H2,1H3,(H,23,30)