3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-isopropoxyphenyl)piperazino]methyl]benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H25N3O/c1-17(2)25-21-9-4-3-8-20(21)24-12-10-23(11-13-24)16-19-7-5-6-18(14-19)15-22/h3-9,14,17H,10-13,16H2,1-2H3