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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-3-fluoranyl-N-[[4-(2-phenylethanoylamino)phenyl]methyl]benzamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-3-fluoro-N-[[4-[(2-phenylacetyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-[[4-[(2-phenylacetyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-3-fluoro-N-[4-[(2-phenylacetyl)amino]benzyl]benzamide Formula: C27H30FN3O2 MolecularWeight: 447.544403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(CN)CN(CC1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C27H30FN3O2/c1-27(2,18-29)19-31(26(33)22-9-6-10-23(28)16-22)17-21-11-13-24(14-12-21)30-25(32)15-20-7-4-3-5-8-20/h3-14,16H,15,17-19,29H2,1-2H3,(H,30,32)