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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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