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

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(2-pyrrolidin-1-ylethyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-[2-(1-pyrrolidinyl)ethyl]-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(2-pyrrolidin-1-ylethyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(2-pyrrolidinoethyl)-5-isoquinolyl]acetamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(C1)CCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35N3O2/c31-25(18-27-15-19-12-20(16-27)14-21(13-19)17-27)28-24-5-3-4-23-22(24)6-9-30(26(23)32)11-10-29-7-1-2-8-29/h3-6,9,19-21H,1-2,7-8,10-18H2,(H,28,31)