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

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-[(4-ethylbenzyl)-methyl-amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C23H31ClN2O2/c1-3-16-4-6-17(7-5-16)14-26(2)20(27)13-25-21(28)22-9-18-8-19(10-22)12-23(24,11-18)15-22/h4-7,18-19H,3,8-15H2,1-2H3,(H,25,28)/t18-,19+,22?,23?