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

Systemtic Name: 3-chloranyl-N-[3-(diethylaminomethyl)phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[3-(diethylaminomethyl)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[3-(diethylaminomethyl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[3-(diethylaminomethyl)phenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[3-(diethylaminomethyl)phenyl]adamantane-1-carboxamide Formula: C22H31ClN2O MolecularWeight: 374.94734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCN(CC)CC1=CC(=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H31ClN2O/c1-3-25(4-2)14-16-6-5-7-19(9-16)24-20(26)21-10-17-8-18(11-21)13-22(23,12-17)15-21/h5-7,9,17-18H,3-4,8,10-15H2,1-2H3,(H,24,26)