2-(1-adamantyl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-(3-pyridylmethyl)-3,4-dihydroisoquinolin-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-(3-pyridinylmethyl)-3,4-dihydroisoquinolin-5-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(3-pyridylmethyl)-3,4-dihydroisoquinolin-5-yl]acetamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C(=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)CC6=CN=CC=C6

Isomeric SMILES

C1CN(C(=O)C2=C1C(=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)CC6=CN=CC=C6

InChI

InChI=1S/C27H31N3O2/c31-25(15-27-12-19-9-20(13-27)11-21(10-19)14-27)29-24-5-1-4-23-22(24)6-8-30(26(23)32)17-18-3-2-7-28-16-18/h1-5,7,16,19-21H,6,8-15,17H2,(H,29,31)