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

Systemtic Name: N-[4-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[[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(=CC(=C1)F)C(=O)NC2=CC=C(C=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)NC2=CC=C(C=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

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