4-[[4-[2-(2,4-dimethylphenoxy)ethanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2,4-dimethylphenoxy)ethanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2,4-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2,4-dimethylphenoxy)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2,4-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2,4-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H27N3O2/c1-18-4-9-22(19(2)14-18)28-17-23(27)26-11-3-10-25(12-13-26)16-21-7-5-20(15-24)6-8-21/h4-9,14H,3,10-13,16-17H2,1-2H3