2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methylpyrazin-2-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methylpyrazin-2-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methylpyrazin-2-yl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methyl-2-pyrazinyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methylpyrazin-2-yl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-keto-2-[(5-methylpyrazin-2-yl)methyl]-5-isoquinolyl]acetamide Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)(CC(C6)(C5)C)C

Isomeric SMILES

CC1=CN=C(C=N1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)(CC(C6)(C5)C)C

InChI

InChI=1S/C29H34N4O2/c1-19-13-31-21(14-30-19)15-33-8-7-22-23(26(33)35)5-4-6-24(22)32-25(34)12-29-11-20-9-27(2,17-29)16-28(3,10-20)18-29/h4-8,13-14,20H,9-12,15-18H2,1-3H3,(H,32,34)