5-[[3-(propan-2-yloxymethyl)piperazin-1-yl]methyl]isoquinoline

Systemtic Name: 5-[[3-(propan-2-yloxymethyl)piperazin-1-yl]methyl]isoquinoline Openeye Name: 5-[[3-(isopropoxymethyl)piperazin-1-yl]methyl]isoquinoline CAS Name: 5-[[3-(propan-2-yloxymethyl)-1-piperazinyl]methyl]isoquinoline IUPAC Name: 5-[[3-(propan-2-yloxymethyl)piperazin-1-yl]methyl]isoquinoline Traditional Name: 5-[[3-(isopropoxymethyl)piperazino]methyl]isoquinoline Formula: C18H25N3O MolecularWeight: 299.4106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1CN(CCN1)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)OCC1CN(CCN1)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H25N3O/c1-14(2)22-13-17-12-21(9-8-20-17)11-16-5-3-4-15-10-19-7-6-18(15)16/h3-7,10,14,17,20H,8-9,11-13H2,1-2H3