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

Systemtic Name: 4-[[4-[2-(4-chloranylphenoxy)ethanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)COC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)COC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22ClN3O2/c22-19-6-8-20(9-7-19)27-16-21(26)25-11-1-10-24(12-13-25)15-18-4-2-17(14-23)3-5-18/h2-9H,1,10-13,15-16H2