3-[[4-[(3,5-dimethoxyphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(3,5-dimethoxyphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(3,5-dimethoxyphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(3,5-dimethoxyphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(3,5-dimethoxyphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3,5-dimethoxybenzyl)-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCN(CCC2=O)CC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCN(CCC2=O)CC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C22H25N3O3/c1-27-20-11-19(12-21(13-20)28-2)16-25-9-8-24(7-6-22(25)26)15-18-5-3-4-17(10-18)14-23/h3-5,10-13H,6-9,15-16H2,1-2H3