N-[3-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-methoxy-benzamide Openeye Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chloro-phenyl]-2-methoxy-benzamide CAS Name: N-[3-[[3-aminopropyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-methoxybenzamide IUPAC Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl]-2-methoxybenzamide Traditional Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chloro-phenyl]-2-methoxy-benzamide Formula: C25H25ClFN3O3 MolecularWeight: 469.935703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC(=CC=C3)F

InChI

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