N-(2-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[(4-ethanoylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[(4-ethanoylpiperazin-1-yl)methyl]benzamide Openeye Name: 4-[(4-acetylpiperazin-1-yl)methyl]-N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-N-(2-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]benzamide IUPAC Name: 4-[(4-acetylpiperazin-1-yl)methyl]-N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]benzamide Traditional Name: 4-[(4-acetylpiperazino)methyl]-N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]benzamide Formula: C31H43N5O3 MolecularWeight: 533.70482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3CCCCC3N)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3CCCCC3N)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H43N5O3/c1-21(37)36-17-15-35(16-18-36)20-24-10-9-23(30(39)33-27-8-6-5-7-26(27)32)19-28(24)34-29(38)22-11-13-25(14-12-22)31(2,3)4/h9-14,19,26-27H,5-8,15-18,20,32H2,1-4H3,(H,33,39)(H,34,38)