N-[3-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-3-methoxy-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-3-methoxy-benzamide Openeye Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chloro-phenyl]-3-methoxy-benzamide CAS Name: N-[3-[[3-aminopropyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-3-methoxybenzamide IUPAC Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl]-3-methoxybenzamide Traditional Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chloro-phenyl]-3-methoxy-benzamide Formula: C25H25ClFN3O3 MolecularWeight: 469.935703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C25H25ClFN3O3/c1-33-22-8-3-5-17(15-22)24(31)29-21-9-10-23(26)19(14-21)16-30(12-4-11-28)25(32)18-6-2-7-20(27)13-18/h2-3,5-10,13-15H,4,11-12,16,28H2,1H3,(H,29,31)