4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]-N-(m-tolyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C23H24FN5O2 MolecularWeight: 421.467363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN5O2/c1-17-4-2-5-19(16-17)25-23(31)28-13-3-12-27(14-15-28)21-10-11-22(30)29(26-21)20-8-6-18(24)7-9-20/h2,4-11,16H,3,12-15H2,1H3,(H,25,31)