2-(1-adamantyl)-N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(2-dimethylaminoethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(2-dimethylaminoethyl)-1-keto-5-isoquinolyl]acetamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O2/c1-27(2)8-9-28-7-6-20-21(24(28)30)4-3-5-22(20)26-23(29)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h3-7,17-19H,8-16H2,1-2H3,(H,26,29)