2-[(3-hydroxyphenyl)-(2,4,5-trimethylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(3-hydroxyphenyl)-(2,4,5-trimethylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(3-hydroxyphenyl)-(2,4,5-trimethylpiperazin-1-yl)methyl]benzonitrile CAS Name: 2-[(3-hydroxyphenyl)-(2,4,5-trimethyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: 2-[(3-hydroxyphenyl)-(2,4,5-trimethylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 2-[(3-hydroxyphenyl)-(2,4,5-trimethylpiperazino)methyl]benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CC=C3C#N)C)C

Isomeric SMILES

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CC=C3C#N)C)C

InChI

InChI=1S/C21H25N3O/c1-15-14-24(16(2)13-23(15)3)21(17-8-6-9-19(25)11-17)20-10-5-4-7-18(20)12-22/h4-11,15-16,21,25H,13-14H2,1-3H3