2-(4-propanoyl-1,4-diazepan-1-yl)benzenecarbonitrile

Systemtic Name: 2-(4-propanoyl-1,4-diazepan-1-yl)benzenecarbonitrile Openeye Name: 2-(4-propanoyl-1,4-diazepan-1-yl)benzonitrile CAS Name: 2-[4-(1-oxopropyl)-1,4-diazepan-1-yl]benzonitrile IUPAC Name: 2-(4-propanoyl-1,4-diazepan-1-yl)benzonitrile Traditional Name: 2-(4-propionyl-1,4-diazepan-1-yl)benzonitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)C2=CC=CC=C2C#N

Isomeric SMILES

CCC(=O)N1CCCN(CC1)C2=CC=CC=C2C#N

InChI

InChI=1S/C15H19N3O/c1-2-15(19)18-9-5-8-17(10-11-18)14-7-4-3-6-13(14)12-16/h3-4,6-7H,2,5,8-11H2,1H3