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

Systemtic Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Formula: C22H21BrFN5O2 MolecularWeight: 486.336843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Br)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Br)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21BrFN5O2/c23-18-4-1-2-5-19(18)25-22(31)28-13-3-12-27(14-15-28)20-10-11-21(30)29(26-20)17-8-6-16(24)7-9-17/h1-2,4-11H,3,12-15H2,(H,25,31)