2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-(4-propylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3/c1-2-3-18-4-6-19(7-5-18)26-24(30)17-27-12-14-28(15-13-27)22-8-9-23(29(31)32)21-16-25-11-10-20(21)22/h4-11,16H,2-3,12-15,17H2,1H3,(H,26,30)