N-[3-[[2-(3-bromanyl-1-adamantyl)ethanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-(3-bromanyl-1-adamantyl)ethanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[[2-(3-bromo-1-adamantyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[[2-(3-bromo-1-adamantyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[[2-(3-bromo-1-adamantyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Formula: C23H29BrN2O2 MolecularWeight: 445.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H29BrN2O2/c24-23-10-16-6-17(11-23)9-22(8-16,14-23)12-20(27)25-13-15-2-1-3-19(7-15)26-21(28)18-4-5-18/h1-3,7,16-18H,4-6,8-14H2,(H,25,27)(H,26,28)