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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(4-fluorophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[(4-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazino]-3-[(4-fluorobenzoyl)amino]benzamide Formula: C28H34FN5O3 MolecularWeight: 507.599663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC1C(=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/C28H34FN5O3/c29-21-6-3-18(4-7-21)26(35)32-24-17-20(27(36)31-23-10-8-22(30)9-11-23)5-12-25(24)33-13-15-34(16-14-33)28(37)19-1-2-19/h3-7,12,17,19,22-23H,1-2,8-11,13-16,30H2,(H,31,36)(H,32,35)