N-[4-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[[3-aminopropyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide Formula: C26H28FN3O4 MolecularWeight: 465.516623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28FN3O4/c1-33-23-12-9-19(16-24(23)34-2)25(31)29-22-10-7-18(8-11-22)17-30(14-4-13-28)26(32)20-5-3-6-21(27)15-20/h3,5-12,15-16H,4,13-14,17,28H2,1-2H3,(H,29,31)