1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxy-isoquinoline

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxy-isoquinoline Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxy-isoquinoline CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methoxyisoquinoline IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxyisoquinoline Traditional Name: 7-methoxy-1-(4-piperonylpiperazino)isoquinoline Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O3/c1-26-18-4-3-17-6-7-23-22(19(17)13-18)25-10-8-24(9-11-25)14-16-2-5-20-21(12-16)28-15-27-20/h2-7,12-13H,8-11,14-15H2,1H3