N-(4-azanylcyclohexyl)-4-(4-cyclohexylcarbonylpiperazin-1-yl)-3-[(4-fluorophenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclohexylcarbonylpiperazin-1-yl)-3-[(4-fluorophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-3-[[(4-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)piperazino]-3-[(4-fluorobenzoyl)amino]benzamide Formula: C31H40FN5O3 MolecularWeight: 549.679403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H40FN5O3/c32-24-9-6-21(7-10-24)29(38)35-27-20-23(30(39)34-26-13-11-25(33)12-14-26)8-15-28(27)36-16-18-37(19-17-36)31(40)22-4-2-1-3-5-22/h6-10,15,20,22,25-26H,1-5,11-14,16-19,33H2,(H,34,39)(H,35,38)