N-(5-chloranyl-2-methoxy-phenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Formula: C23H23ClFN5O3 MolecularWeight: 471.911823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23ClFN5O3/c1-33-20-8-3-16(24)15-19(20)26-23(32)29-12-2-11-28(13-14-29)21-9-10-22(31)30(27-21)18-6-4-17(25)5-7-18/h3-10,15H,2,11-14H2,1H3,(H,26,32)