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

Systemtic Name: (5S,7R)-3-chloranyl-N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[5-chloro-2-(4-methylpiperazino)phenyl]adamantane-1-carboxamide Formula: C22H29Cl2N3O MolecularWeight: 422.39116

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H29Cl2N3O/c1-26-4-6-27(7-5-26)19-3-2-17(23)9-18(19)25-20(28)21-10-15-8-16(11-21)13-22(24,12-15)14-21/h2-3,9,15-16H,4-8,10-14H2,1H3,(H,25,28)/t15-,16+,21?,22?