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

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(3-cyanoanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-(3-cyanoanilino)-2-keto-ethyl]adamantane-1-carboxamide Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)NCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H22ClN3O2/c21-20-8-14-4-15(9-20)7-19(6-14,12-20)18(26)23-11-17(25)24-16-3-1-2-13(5-16)10-22/h1-3,5,14-15H,4,6-9,11-12H2,(H,23,26)(H,24,25)/t14-,15+,19?,20?