1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-7-methoxy-isoquinoline

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-7-methoxy-isoquinoline Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-7-methoxy-isoquinoline CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinyl]-7-methoxyisoquinoline IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-7-methoxyisoquinoline Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazino]-7-methoxy-isoquinoline Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2N3CCN(CC3)CC4COC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2N3CCN(CC3)CC4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H25N3O3/c1-27-18-7-6-17-8-9-24-23(20(17)14-18)26-12-10-25(11-13-26)15-19-16-28-21-4-2-3-5-22(21)29-19/h2-9,14,19H,10-13,15-16H2,1H3