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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclohexylcarbonylpiperazin-1-yl)-3-[(3-fluorophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-[(3-fluorobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-3-[[(3-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-[(3-fluorobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)piperazino]-3-[(3-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(=CC=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(=CC=C5)F

InChI

InChI=1S/C31H40FN5O3/c32-24-8-4-7-22(19-24)30(39)35-27-20-23(29(38)34-26-12-10-25(33)11-13-26)9-14-28(27)36-15-17-37(18-16-36)31(40)21-5-2-1-3-6-21/h4,7-9,14,19-21,25-26H,1-3,5-6,10-13,15-18,33H2,(H,34,38)(H,35,39)