N-(3-azanylpropyl)-N-[[2-chloranyl-5-(2-phenylethanoylamino)phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-(2-phenylethanoylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenylacetyl)amino]phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenylacetyl)amino]phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-[(2-phenylacetyl)amino]benzyl]-3-fluoro-benzamide Formula: C25H25ClFN3O2 MolecularWeight: 453.936303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClFN3O2/c26-23-11-10-22(29-24(31)14-18-6-2-1-3-7-18)16-20(23)17-30(13-5-12-28)25(32)19-8-4-9-21(27)15-19/h1-4,6-11,15-16H,5,12-14,17,28H2,(H,29,31)