5-[4-(4-butylphenyl)piperazin-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-one

Systemtic Name: 5-[4-(4-butylphenyl)piperazin-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-one Openeye Name: 5-[4-(4-butylphenyl)piperazin-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-one CAS Name: 5-[4-(4-butylphenyl)-1-piperazinyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pentanone IUPAC Name: 5-[4-(4-butylphenyl)piperazin-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-one Traditional Name: 5-[4-(4-butylphenyl)piperazino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-one Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CCN(CC2)CCCCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CCN(CC2)CCCCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C27H36N2O3/c1-2-3-6-22-8-11-24(12-9-22)29-17-15-28(16-18-29)14-5-4-7-25(30)23-10-13-26-27(21-23)32-20-19-31-26/h8-13,21H,2-7,14-20H2,1H3