4-methyl-5-propanoyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile

Systemtic Name: 4-methyl-5-propanoyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Openeye Name: 4-methyl-5-propanoyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile CAS Name: 4-methyl-5-(1-oxopropyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile IUPAC Name: 4-methyl-5-propanoyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Traditional Name: 4-methyl-5-propionyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carbonitrile Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(NC2=CC=CC=C21)C#N)C

Isomeric SMILES

CCC(=O)N1C(CC(NC2=CC=CC=C21)C#N)C

InChI

InChI=1S/C14H17N3O/c1-3-14(18)17-10(2)8-11(9-15)16-12-6-4-5-7-13(12)17/h4-7,10-11,16H,3,8H2,1-2H3