(5S,7R)-3-chloranyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(4-ethyl-1-piperazinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-(4-ethylpiperazino)phenyl]adamantane-1-carboxamide Formula: C23H32ClN3O MolecularWeight: 401.97268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H32ClN3O/c1-2-26-7-9-27(10-8-26)20-6-4-3-5-19(20)25-21(28)22-12-17-11-18(13-22)15-23(24,14-17)16-22/h3-6,17-18H,2,7-16H2,1H3,(H,25,28)/t17-,18+,22?,23?