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

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O4/c26-18(22-19(27)21-13-1-2-13)12-23-7-9-24(10-8-23)16-3-4-17(25(28)29)15-11-20-6-5-14(15)16/h3-6,11,13H,1-2,7-10,12H2,(H2,21,22,26,27)