(5S,7R)-3-(4-chlorophenyl)-N,N-dipyridin-2-yl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-(4-chlorophenyl)-N,N-dipyridin-2-yl-adamantane-1-carboxamide Openeye Name: (5S,7R)-3-(4-chlorophenyl)-N,N-bis(2-pyridyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-(4-chlorophenyl)-N,N-bis(2-pyridinyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-(4-chlorophenyl)-N,N-dipyridin-2-yladamantane-1-carboxamide Traditional Name: (5S,7R)-3-(4-chlorophenyl)-N,N-bis(2-pyridyl)adamantane-1-carboxamide Formula: C27H26ClN3O MolecularWeight: 443.96784

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)N(C4=CC=CC=N4)C5=CC=CC=N5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)N(C4=CC=CC=N4)C5=CC=CC=N5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H26ClN3O/c28-22-9-7-21(8-10-22)26-14-19-13-20(15-26)17-27(16-19,18-26)25(32)31(23-5-1-3-11-29-23)24-6-2-4-12-30-24/h1-12,19-20H,13-18H2/t19-,20+,26?,27?