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

Systemtic Name: 5-[[3-(2-methylpropyl)piperazin-1-yl]methyl]isoquinoline Openeye Name: 5-[(3-isobutylpiperazin-1-yl)methyl]isoquinoline CAS Name: 5-[[3-(2-methylpropyl)-1-piperazinyl]methyl]isoquinoline IUPAC Name: 5-[[3-(2-methylpropyl)piperazin-1-yl]methyl]isoquinoline Traditional Name: 5-[(3-isobutylpiperazino)methyl]isoquinoline Formula: C18H25N3 MolecularWeight: 283.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)CC1CN(CCN1)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H25N3/c1-14(2)10-17-13-21(9-8-20-17)12-16-5-3-4-15-11-19-7-6-18(15)16/h3-7,11,14,17,20H,8-10,12-13H2,1-2H3