N-(3-azanylpropyl)-N-[[2-[(4-tert-butylphenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-[(4-tert-butylphenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-[(4-tert-butylbenzoyl)amino]benzyl]-3-fluoro-benzamide Formula: C28H32FN3O2 MolecularWeight: 461.570983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CN(CCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CN(CCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C28H32FN3O2/c1-28(2,3)23-14-12-20(13-15-23)26(33)31-25-11-5-4-8-22(25)19-32(17-7-16-30)27(34)21-9-6-10-24(29)18-21/h4-6,8-15,18H,7,16-17,19,30H2,1-3H3,(H,31,33)