N-[(5-phenylisoquinolin-8-yl)methyl]adamantane-1-carboxamide

Systemtic Name: N-[(5-phenylisoquinolin-8-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(5-phenyl-8-isoquinolyl)methyl]adamantane-1-carboxamide CAS Name: N-[(5-phenyl-8-isoquinolinyl)methyl]-1-adamantanecarboxamide IUPAC Name: N-[(5-phenylisoquinolin-8-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[(5-phenyl-8-isoquinolyl)methyl]adamantane-1-carboxamide Formula: C27H28N2O MolecularWeight: 396.52402

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=C5C=NC=CC5=C(C=C4)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=C5C=NC=CC5=C(C=C4)C6=CC=CC=C6

InChI

InChI=1S/C27H28N2O/c30-26(27-13-18-10-19(14-27)12-20(11-18)15-27)29-16-22-6-7-23(21-4-2-1-3-5-21)24-8-9-28-17-25(22)24/h1-9,17-20H,10-16H2,(H,29,30)