4-[4-(7-chloranyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-(7-chloranyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butanenitrile Openeye Name: 4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butanenitrile CAS Name: 4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butanenitrile Traditional Name: 4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]butyronitrile Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC#N)C2=CC(=CC3=C2OCCO3)Cl

Isomeric SMILES

C1CN(CCN1CCCC#N)C2=CC(=CC3=C2OCCO3)Cl

InChI

InChI=1S/C16H20ClN3O2/c17-13-11-14(16-15(12-13)21-9-10-22-16)20-7-5-19(6-8-20)4-2-1-3-18/h11-12H,1-2,4-10H2