5-(2-chloranylethanoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile

Systemtic Name: 5-(2-chloranylethanoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Openeye Name: 5-(2-chloroacetyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile CAS Name: 5-(2-chloro-1-oxoethyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile IUPAC Name: 5-(2-chloroacetyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Traditional Name: 5-(2-chloroacetyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Formula: C13H14ClN3O MolecularWeight: 263.72276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC2=CC=CC=C2N1C(=O)CCl)C#N

Isomeric SMILES

CC1CC(NC2=CC=CC=C2N1C(=O)CCl)C#N

InChI

InChI=1S/C13H14ClN3O/c1-9-6-10(8-15)16-11-4-2-3-5-12(11)17(9)13(18)7-14/h2-5,9-10,16H,6-7H2,1H3