4-[(4-ethanoyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-ethanoyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-acetyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzonitrile CAS Name: 4-[(4-acetyl-2,5-dimethyl-1-piperazinyl)-(3-hydroxyphenyl)methyl]benzonitrile IUPAC Name: 4-[(4-acetyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]benzonitrile Traditional Name: 4-[(4-acetyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]benzonitrile Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C)C)C(C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)O

Isomeric SMILES

CC1CN(C(CN1C(=O)C)C)C(C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H25N3O2/c1-15-14-25(16(2)13-24(15)17(3)26)22(20-5-4-6-21(27)11-20)19-9-7-18(12-23)8-10-19/h4-11,15-16,22,27H,13-14H2,1-3H3