N-[2-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3-fluoro-benzamide CAS Name: N-[2-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide Traditional Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3-fluoro-benzamide Formula: C25H23FN4O2 MolecularWeight: 430.474123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN4O2/c26-22-7-3-6-20(15-22)24(31)29-23-8-2-1-5-21(23)17-30(14-4-13-27)25(32)19-11-9-18(16-28)10-12-19/h1-3,5-12,15H,4,13-14,17,27H2,(H,29,31)