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

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]nicotinamide 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=CN=CC=C3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

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