3-chloranyl-N-[4-(3-methylbutanoylamino)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(3-methylbutanoylamino)phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[4-(3-methylbutanoylamino)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[4-(3-methylbutanoylamino)phenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[4-(isovalerylamino)phenyl]adamantane-1-carboxamide Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2/c1-14(2)7-19(26)24-17-3-5-18(6-4-17)25-20(27)21-9-15-8-16(10-21)12-22(23,11-15)13-21/h3-6,14-16H,7-13H2,1-2H3,(H,24,26)(H,25,27)