N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3,5-bis(fluoranyl)benzamide

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3,5-bis(fluoranyl)benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3,5-difluoro-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3,5-difluorobenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3,5-difluorobenzamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3,5-difluoro-benzamide Formula: C25H22F2N4O2 MolecularWeight: 448.464586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2)F)F)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2)F)F)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H22F2N4O2/c26-21-12-20(13-22(27)14-21)24(32)30-23-4-1-3-18(11-23)16-31(10-2-9-28)25(33)19-7-5-17(15-29)6-8-19/h1,3-8,11-14H,2,9-10,16,28H2,(H,30,32)