(5S,7R)-3-chloranyl-N-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-[4-(dimethylamino)anilino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-[4-(dimethylamino)anilino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H28ClN3O2/c1-25(2)17-5-3-16(4-6-17)24-18(26)12-23-19(27)20-8-14-7-15(9-20)11-21(22,10-14)13-20/h3-6,14-15H,7-13H2,1-2H3,(H,23,27)(H,24,26)/t14-,15+,20?,21?