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

Systemtic Name: 4-[4-(7-chloranyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-3-phenyl-butanenitrile Openeye Name: 4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-3-phenyl-butanenitrile CAS Name: 4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-3-phenylbutanenitrile IUPAC Name: 4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-3-phenylbutanenitrile Traditional Name: 4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]-3-phenyl-butyronitrile Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC#N)C2=CC=CC=C2)C3=CC(=CC4=C3OCCO4)Cl

Isomeric SMILES

C1CN(CCN1CC(CC#N)C2=CC=CC=C2)C3=CC(=CC4=C3OCCO4)Cl

InChI

InChI=1S/C22H24ClN3O2/c23-19-14-20(22-21(15-19)27-12-13-28-22)26-10-8-25(9-11-26)16-18(6-7-24)17-4-2-1-3-5-17/h1-5,14-15,18H,6,8-13,16H2