N-[(2S)-1-[[4-(1-adamantyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[[4-(1-adamantyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[[4-(1-adamantyl)phenyl]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-[4-(1-adamantyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-[4-(1-adamantyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S)-1-[[4-(1-adamantyl)phenyl]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C28H33FN2O2/c1-17(2)25(31-26(32)23-5-3-4-6-24(23)29)27(33)30-22-9-7-21(8-10-22)28-14-18-11-19(15-28)13-20(12-18)16-28/h3-10,17-20,25H,11-16H2,1-2H3,(H,30,33)(H,31,32)/t18?,19?,20?,25-,28?/m0/s1