2-(1-adamantyl)-N-[2-[(4-methyl-1-phenyl-pyrazol-3-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[(4-methyl-1-phenyl-pyrazol-3-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[(4-methyl-1-phenyl-pyrazol-3-yl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[(4-methyl-1-phenyl-3-pyrazolyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[(4-methyl-1-phenylpyrazol-3-yl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[(4-methyl-1-phenyl-pyrazol-3-yl)methyl]-5-isoquinolyl]acetamide Formula: C32H34N4O2 MolecularWeight: 506.63796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CN(N=C1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C32H34N4O2/c1-21-19-36(25-6-3-2-4-7-25)34-29(21)20-35-11-10-26-27(31(35)38)8-5-9-28(26)33-30(37)18-32-15-22-12-23(16-32)14-24(13-22)17-32/h2-11,19,22-24H,12-18,20H2,1H3,(H,33,37)