3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]adamantane-1-carboxamide Formula: C24H34ClN3O MolecularWeight: 415.99926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34ClN3O/c1-3-27-6-8-28(9-7-27)20-4-5-21(17(2)10-20)26-22(29)23-12-18-11-19(13-23)15-24(25,14-18)16-23/h4-5,10,18-19H,3,6-9,11-16H2,1-2H3,(H,26,29)