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

Systemtic Name: 5-methyl-4-(phenylcarbonyl)-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile Openeye Name: 4-benzoyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile CAS Name: 4-benzoyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile IUPAC Name: 4-benzoyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile Traditional Name: 4-benzoyl-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-9-carbonitrile Formula: C14H10N6O MolecularWeight: 278.2688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=NC2=C(N=CN12)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NN=NC2=C(N=CN12)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H10N6O/c1-9-12(13(21)10-5-3-2-4-6-10)17-19-18-14-11(7-15)16-8-20(9)14/h2-6,8H,1H3,(H,17,18)