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

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1,5-dimethylpyrazol-3-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1,5-dimethylpyrazol-3-yl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1,5-dimethyl-3-pyrazolyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1,5-dimethylpyrazol-3-yl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(1,5-dimethylpyrazol-3-yl)methyl]-1-keto-5-isoquinolyl]acetamide Formula: C29H36N4O2 MolecularWeight: 472.62174

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O2/c1-19-10-21(31-32(19)4)15-33-9-8-22-23(26(33)35)6-5-7-24(22)30-25(34)14-29-13-20-11-27(2,17-29)16-28(3,12-20)18-29/h5-10,20H,11-18H2,1-4H3,(H,30,34)