N-cyclohexyl-5-(2,2-dimethylpropanoylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: N-cyclohexyl-5-(2,2-dimethylpropanoylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(2,2-dimethylpropanoylamino)benzamide CAS Name: N-cyclohexyl-5-[(2,2-dimethyl-1-oxopropyl)amino]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(2,2-dimethylpropanoylamino)benzamide Traditional Name: 2-(4-benzylpiperazino)-N-cyclohexyl-5-(pivaloylamino)benzamide Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C29H40N4O2/c1-29(2,3)28(35)31-24-14-15-26(25(20-24)27(34)30-23-12-8-5-9-13-23)33-18-16-32(17-19-33)21-22-10-6-4-7-11-22/h4,6-7,10-11,14-15,20,23H,5,8-9,12-13,16-19,21H2,1-3H3,(H,30,34)(H,31,35)