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

Systemtic Name: 2-(1-adamantyl)-N-[2-[(1,5-dimethylpyrazol-3-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[(1,5-dimethylpyrazol-3-yl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[(1,5-dimethyl-3-pyrazolyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[(1,5-dimethylpyrazol-3-yl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[(1,5-dimethylpyrazol-3-yl)methyl]-1-keto-5-isoquinolyl]acetamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=NN1C)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32N4O2/c1-17-8-21(29-30(17)2)16-31-7-6-22-23(26(31)33)4-3-5-24(22)28-25(32)15-27-12-18-9-19(13-27)11-20(10-18)14-27/h3-8,18-20H,9-16H2,1-2H3,(H,28,32)