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

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C22H30ClN3O2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O2/c1-26(2)18-5-3-15(4-6-18)12-24-19(27)13-25-20(28)21-8-16-7-17(9-21)11-22(23,10-16)14-21/h3-6,16-17H,7-14H2,1-2H3,(H,24,27)(H,25,28)/t16-,17+,21?,22?