N-(2-azanylcyclohexyl)-N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[4-[(4-tert-butylbenzoyl)amino]benzyl]-3-fluoro-benzamide Formula: C31H36FN3O2 MolecularWeight: 501.634843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCCCC3N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCCCC3N)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C31H36FN3O2/c1-31(2,3)24-15-13-22(14-16-24)29(36)34-26-17-11-21(12-18-26)20-35(28-10-5-4-9-27(28)33)30(37)23-7-6-8-25(32)19-23/h6-8,11-19,27-28H,4-5,9-10,20,33H2,1-3H3,(H,34,36)