N-(2-ethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Openeye Name: N-(2-ethoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]propanamide CAS Name: N-(2-ethoxyphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-ethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazino]-N-o-phenetyl-propionamide Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-3-33-23-7-5-4-6-20(23)26-24(30)17(2)27-12-14-28(15-13-27)21-8-9-22(29(31)32)19-16-25-11-10-18(19)21/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,30)