2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)ethanamide Openeye Name: N-(3-isopropylphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-N-(3-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide Traditional Name: N-m-cumenyl-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3/c1-17(2)18-4-3-5-19(14-18)26-24(30)16-27-10-12-28(13-11-27)22-6-7-23(29(31)32)21-15-25-9-8-20(21)22/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,26,30)