3-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(6-oxo-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-(6-oxo-1-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(6-oxo-1-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(6-keto-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c23-17-18-6-4-9-20(16-18)31(29,30)26-13-5-12-25(14-15-26)21-10-11-22(28)27(24-21)19-7-2-1-3-8-19/h1-4,6-11,16H,5,12-15H2