4-ethanoyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile

Systemtic Name: 4-ethanoyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile Openeye Name: 4-acetyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile CAS Name: 4-acetyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile IUPAC Name: 4-acetyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile Traditional Name: 4-acetyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile Formula: C9H8N6O MolecularWeight: 216.19942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=NC2=C(N=CN12)C#N)C(=O)C

Isomeric SMILES

CC1=C(NN=NC2=C(N=CN12)C#N)C(=O)C

InChI

InChI=1S/C9H8N6O/c1-5-8(6(2)16)12-14-13-9-7(3-10)11-4-15(5)9/h4H,1-2H3,(H,12,13)