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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Formula: C23H23ClFN5O2 MolecularWeight: 455.912423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFN5O2/c1-16-3-8-20(19(24)15-16)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)