2-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methyl]pentanedinitrile CAS Name: 2-[[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]pentanedinitrile IUPAC Name: 2-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methyl]pentanedinitrile Traditional Name: 2-[(4-m-toluoyl-1,4-diazepan-1-yl)methyl]glutaronitrile Formula: C19H24N4O MolecularWeight: 324.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC(CCC#N)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC(CCC#N)C#N

InChI

InChI=1S/C19H24N4O/c1-16-5-2-7-18(13-16)19(24)23-10-4-9-22(11-12-23)15-17(14-21)6-3-8-20/h2,5,7,13,17H,3-4,6,9-12,15H2,1H3