N-(5-morpholin-4-ylisoquinolin-8-yl)-4-nitro-benzamide

Systemtic Name: N-(5-morpholin-4-ylisoquinolin-8-yl)-4-nitro-benzamide Openeye Name: N-(5-morpholino-8-isoquinolyl)-4-nitro-benzamide CAS Name: N-[5-(4-morpholinyl)-8-isoquinolinyl]-4-nitrobenzamide IUPAC Name: N-(5-morpholin-4-ylisoquinolin-8-yl)-4-nitrobenzamide Traditional Name: N-(5-morpholino-8-isoquinolyl)-4-nitro-benzamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4/c25-20(14-1-3-15(4-2-14)24(26)27)22-18-5-6-19(23-9-11-28-12-10-23)16-7-8-21-13-17(16)18/h1-8,13H,9-12H2,(H,22,25)