4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-phenyl-butan-1-one hydrochloride

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-phenyl-butan-1-one hydrochloride Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-phenyl-butan-1-one hydrochloride CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-1-phenyl-1-butanone hydrochloride IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-phenylbutan-1-one hydrochloride Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]-1-phenyl-butan-1-one hydrochloride Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=CC=C2)C3=C4C(=CC=C3)OCCO4.Cl

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=CC=C2)C3=C4C(=CC=C3)OCCO4.Cl

InChI

InChI=1S/C22H26N2O3.ClH/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21;/h1-4,6-8,10H,5,9,11-17H2;1H