N-(4-tert-butylphenyl)-3-[[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(4-tert-butylphenyl)-3-[[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methyl]benzamide Openeye Name: N-(4-tert-butylphenyl)-3-[[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methyl]benzamide CAS Name: N-(4-tert-butylphenyl)-3-[[4-[(3-hydroxyphenyl)methyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-(4-tert-butylphenyl)-3-[[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-(4-tert-butylphenyl)-3-[[4-(3-hydroxybenzyl)piperazino]methyl]benzamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)CC4=CC(=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C29H35N3O2/c1-29(2,3)25-10-12-26(13-11-25)30-28(34)24-8-4-6-22(18-24)20-31-14-16-32(17-15-31)21-23-7-5-9-27(33)19-23/h4-13,18-19,33H,14-17,20-21H2,1-3H3,(H,30,34)