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

Systemtic Name: 5-[[3-(2-methylpropoxymethyl)piperazin-1-yl]methyl]isoquinoline Openeye Name: 5-[[3-(isobutoxymethyl)piperazin-1-yl]methyl]isoquinoline CAS Name: 5-[[3-(2-methylpropoxymethyl)-1-piperazinyl]methyl]isoquinoline IUPAC Name: 5-[[3-(2-methylpropoxymethyl)piperazin-1-yl]methyl]isoquinoline Traditional Name: 5-[[3-(isobutoxymethyl)piperazino]methyl]isoquinoline Formula: C19H27N3O MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC1CN(CCN1)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)COCC1CN(CCN1)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H27N3O/c1-15(2)13-23-14-18-12-22(9-8-21-18)11-17-5-3-4-16-10-20-7-6-19(16)17/h3-7,10,15,18,21H,8-9,11-14H2,1-2H3