N-[4-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-4-fluoro-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-4-fluorobenzamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-4-fluoro-benzamide Formula: C27H28FN3O2 MolecularWeight: 445.528523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28FN3O2/c28-22-14-12-20(13-15-22)26(32)30-23-16-10-19(11-17-23)18-31(25-9-5-4-8-24(25)29)27(33)21-6-2-1-3-7-21/h1-3,6-7,10-17,24-25H,4-5,8-9,18,29H2,(H,30,32)