N-[4-[[(2-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]pyridine-4-carboxamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]pyridine-4-carboxamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]isonicotinamide Formula: C26H27FN4O2 MolecularWeight: 446.516583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27FN4O2/c27-21-5-3-4-20(16-21)26(33)31(24-7-2-1-6-23(24)28)17-18-8-10-22(11-9-18)30-25(32)19-12-14-29-15-13-19/h3-5,8-16,23-24H,1-2,6-7,17,28H2,(H,30,32)