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

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(3-aminopropyl)-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(3-aminopropyl)-N-[3-[(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(=C2)CN(CCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

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