3-[5-methyl-4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-methyl-4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[5-methyl-4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[5-methyl-4-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[5-methyl-4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[5-methyl-4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C20H24N6O2/c1-14-15(13-21-26(14)18-9-10-19(27)23-22-18)20(28)25-12-5-3-4-7-17(25)16-8-6-11-24(16)2/h6,8-11,13,17H,3-5,7,12H2,1-2H3,(H,23,27)