4-chloranyl-2-piperazin-1-yl-benzenecarbonitrile; decane-2,4-dione

Systemtic Name: 4-chloranyl-2-piperazin-1-yl-benzenecarbonitrile; decane-2,4-dione Openeye Name: 4-chloro-2-piperazin-1-yl-benzonitrile; decane-2,4-dione CAS Name: 4-chloro-2-(1-piperazinyl)benzonitrile; decane-2,4-dione IUPAC Name: 4-chloro-2-piperazin-1-ylbenzonitrile; decane-2,4-dione Traditional Name: 4-chloro-2-piperazino-benzonitrile; decane-2,4-dione Formula: C21H30ClN3O2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC(=O)C.C1CN(CCN1)C2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CCCCCCC(=O)CC(=O)C.C1CN(CCN1)C2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C11H12ClN3.C10H18O2/c12-10-2-1-9(8-13)11(7-10)15-5-3-14-4-6-15;1-3-4-5-6-7-10(12)8-9(2)11/h1-2,7,14H,3-6H2;3-8H2,1-2H3