4-[[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-isopropylbenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-cumoylpiperazino)methyl]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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