3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C18H22N4O2/c1-14-3-5-15(6-4-14)13-21-9-2-10-22(12-11-21)18(24)16-7-8-17(23)20-19-16/h3-8H,2,9-13H2,1H3,(H,20,23)