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

Systemtic Name: 2-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzonitrile CAS Name: 2-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]benzonitrile IUPAC Name: 2-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]benzonitrile Traditional Name: 2-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]benzonitrile Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CC=C3C#N)C)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CC=C3C#N)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O/c1-20-18-30(21(2)17-29(20)19-22-9-4-3-5-10-22)27(23-12-8-13-25(31)15-23)26-14-7-6-11-24(26)16-28/h3-15,20-21,27,31H,17-19H2,1-2H3