2-[4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-isobutyrylpiperazino)methyl]phenyl]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O/c1-17(2)22(26)25-13-11-24(12-14-25)16-18-7-9-19(10-8-18)21-6-4-3-5-20(21)15-23/h3-10,17H,11-14,16H2,1-2H3