2-[[4-(phenylcarbonyl)-1,4-diazepan-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[4-(phenylcarbonyl)-1,4-diazepan-1-yl]methyl]pentanedinitrile Openeye Name: 2-[(4-benzoyl-1,4-diazepan-1-yl)methyl]pentanedinitrile CAS Name: 2-[(4-benzoyl-1,4-diazepan-1-yl)methyl]pentanedinitrile IUPAC Name: 2-[(4-benzoyl-1,4-diazepan-1-yl)methyl]pentanedinitrile Traditional Name: 2-[(4-benzoyl-1,4-diazepan-1-yl)methyl]glutaronitrile Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)CC(CCC#N)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)CC(CCC#N)C#N

InChI

InChI=1S/C18H22N4O/c19-9-4-6-16(14-20)15-21-10-5-11-22(13-12-21)18(23)17-7-2-1-3-8-17/h1-3,7-8,16H,4-6,10-13,15H2