N-(3-azanyl-2,2-dimethyl-propyl)-N-[[3-[(4-cyanophenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[[3-[(4-cyanophenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[[3-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-[3-[(4-cyanobenzoyl)amino]benzyl]-3-fluoro-benzamide Formula: C27H27FN4O2 MolecularWeight: 458.527283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(CN)CN(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C27H27FN4O2/c1-27(2,17-30)18-32(26(34)22-6-4-7-23(28)14-22)16-20-5-3-8-24(13-20)31-25(33)21-11-9-19(15-29)10-12-21/h3-14H,16-18,30H2,1-2H3,(H,31,33)