3-[[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(thiazole-4-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[oxo(4-thiazolyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-(thiazole-4-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CSC=N2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CSC=N2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16N4O2S/c18-10-13-3-1-4-14(9-13)16(22)20-5-2-6-21(8-7-20)17(23)15-11-24-12-19-15/h1,3-4,9,11-12H,2,5-8H2