N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]-5-(3,5,5-trimethylhexanoylamino)benzamide

Systemtic Name: N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: N-cyclohexyl-2-[4-(phenylmethyl)-1-piperazinyl]-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: 2-(4-benzylpiperazino)-N-cyclohexyl-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C33H48N4O2 MolecularWeight: 532.75982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N4O2/c1-25(23-33(2,3)4)21-31(38)34-28-15-16-30(29(22-28)32(39)35-27-13-9-6-10-14-27)37-19-17-36(18-20-37)24-26-11-7-5-8-12-26/h5,7-8,11-12,15-16,22,25,27H,6,9-10,13-14,17-21,23-24H2,1-4H3,(H,34,38)(H,35,39)