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

Systemtic Name: N-(3-azanylpropyl)-N-[[4-[(4-cyanophenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(3-aminopropyl)-N-[[4-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(3-aminopropyl)-N-[4-[(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)F)C(=O)N(CCCN)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)N(CCCN)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N

InChI

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