N-(2-ethoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-ethoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]-N-o-phenetyl-1,4-diazepane-1-carboxamide Formula: C24H26FN5O3 MolecularWeight: 451.493343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN5O3/c1-2-33-21-7-4-3-6-20(21)26-24(32)29-15-5-14-28(16-17-29)22-12-13-23(31)30(27-22)19-10-8-18(25)9-11-19/h3-4,6-13H,2,5,14-17H2,1H3,(H,26,32)