4-[[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3,5-dimethyl-4-(3-pyridylmethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3,5-dimethyl-4-(3-pyridinylmethoxy)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3,5-dimethyl-4-(3-pyridylmethoxy)benzoyl]piperazino]methyl]benzonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CN=CC=C2)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CN=CC=C2)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H28N4O2/c1-20-14-25(15-21(2)26(20)33-19-24-4-3-9-29-17-24)27(32)31-12-10-30(11-13-31)18-23-7-5-22(16-28)6-8-23/h3-9,14-15,17H,10-13,18-19H2,1-2H3