3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylpiperazino)isoquinoline Formula: C23H25N3O2 MolecularWeight: 375.4635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H25N3O2/c1-2-25-9-11-26(12-10-25)23-19-6-4-3-5-17(19)15-20(24-23)18-7-8-21-22(16-18)28-14-13-27-21/h3-8,15-16H,2,9-14H2,1H3