3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]quinoline

Systemtic Name: 3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]quinoline Openeye Name: 3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]quinoline CAS Name: 3-[[4-(2,6-dimethylphenyl)-1-piperazinyl]methyl]quinoline IUPAC Name: 3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]quinoline Traditional Name: 3-[[4-(2,6-dimethylphenyl)piperazino]methyl]quinoline Formula: C22H25N3 MolecularWeight: 331.454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H25N3/c1-17-6-5-7-18(2)22(17)25-12-10-24(11-13-25)16-19-14-20-8-3-4-9-21(20)23-15-19/h3-9,14-15H,10-13,16H2,1-2H3